Np mrd loader

Showing NP-Card for Pitipeptolide F (NP0010255)

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Record Information
Version2.0
Created at2021-01-05 19:50:18 UTC
Updated at2021-07-15 17:05:35 UTC
NP-MRD IDNP0010255
Secondary Accession NumbersNone
Natural Product Identification
Common NamePitipeptolide F
Provided ByNPAtlasNPAtlas Logo
DescriptionPitipeptolide F belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Pitipeptolide F is found in Lyngbya majuscula. Pitipeptolide F was first documented in 2011 (PMID: 21843895). Based on a literature review very few articles have been published on Pitipeptolide F.
Structure
Data?1621576286
MOL3D MOLSDF3D SDFPDBSMILESInChI

MOL for NP0010255 (Pitipeptolide F)


  Mrv1652307012121313D          

120122  0  0  0  0            999 V2000
    8.8181    0.0247   -0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7299    0.4333    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3825    0.9164    0.4233 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8606   -0.0714    1.4704 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5204    0.2413    1.9885 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3596    0.2648    1.0688 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2430    0.6415    1.9115 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458    1.9603    2.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537    2.2237    3.4806 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    3.0212    1.3196 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0981    4.3524    1.8307 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6763    5.4838    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2852    6.5918    1.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    5.4554    0.1108 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1357    6.9019   -0.1583 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0242    7.0362   -1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427    7.7867   -0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    4.7404    0.6947 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6417    4.0527    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8317    4.5204    0.3542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440    2.8380   -0.7291 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9761    3.0212   -2.0739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0916    2.8631   -3.1285 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2560    3.3197   -2.2405 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9945    2.4423   -1.0918 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7865    1.4662   -0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0408    1.5195   -0.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3691    0.3965    0.4755 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2258    1.0600    1.8302 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5817    1.6489    2.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182    0.2055    2.9284 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6232   -0.9579    3.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2481   -0.3338    0.0895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725   -1.2264   -0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1813   -0.8527   -1.8210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4702   -2.6006   -0.9605 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8761   -3.1823    0.3955 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3621   -4.5579    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900   -5.6027    0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8779   -6.9435    0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1948   -7.2317    0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0849   -6.1667    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6675   -4.8653    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7066   -3.5285   -1.7351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440   -4.1835   -2.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728   -3.9441   -1.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0782   -5.2063   -1.6282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817   -3.1369   -1.4499 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1080   -4.0454   -1.6357 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0742   -4.6569   -3.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1539   -5.1973   -0.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9364   -2.4454   -0.1853 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930   -1.3043    0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -0.3204    0.6178 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488   -1.0076    0.3213 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8244   -2.1898    0.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5294   -0.7512   -1.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7786   -0.3226   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7863    0.9135   -0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776    1.9227    0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5807    0.0597    2.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790   -1.0533    1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973    1.3134    2.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2895   -0.2953    2.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4828    1.1252    0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4252    2.9770    1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8319    2.8503    0.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759    4.5104    2.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8746    8.4049   -1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1173    7.2380   -1.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6799   -0.1331    2.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5629    0.8535    3.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4618   -1.0100    2.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9940   -3.0513    1.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4305   -5.4387    0.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5551   -8.2559    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1150   -6.4739   -0.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0474   -4.5572   -3.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -5.6907   -3.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315   -4.0487   -3.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5210   -5.0415    0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9774   -6.1950   -1.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3211   -2.9335    0.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694   -2.6008    0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479   -2.0817    1.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0609   -3.0330    0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8392   -1.1098   -1.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5464   -1.2168   -1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265    0.3528   -1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for NP0010255 (Pitipeptolide F)

     RDKit          3D

120122  0  0  0  0  0  0  0  0999 V2000
    8.8181    0.0247   -0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7299    0.4333    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3825    0.9164    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8606   -0.0714    1.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204    0.2413    1.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    0.2648    1.0688 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2430    0.6415    1.9115 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458    1.9603    2.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537    2.2237    3.4806 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    3.0212    1.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981    4.3524    1.8307 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6763    5.4838    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2852    6.5918    1.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    5.4554    0.1108 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1357    6.9019   -0.1583 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0242    7.0362   -1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427    7.7867   -0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    4.7404    0.6947 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6417    4.0527    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for NP0010255 (Pitipeptolide F)


  Mrv1652307012121313D          

120122  0  0  0  0            999 V2000
    8.8181    0.0247   -0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5973    1.3134    2.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4828    1.1252    0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4252    2.9770    1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8319    2.8503    0.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759    4.5104    2.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    4.9679   -0.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2316    7.2903    0.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0131    7.0242   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8746    8.4049   -1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5647    8.5566    0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1173    7.2380   -1.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0010255

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C#CC([H])([H])C([H])([H])C([H])([H])[C@]1([H])OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(OC(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)C1(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C43H63N5O9/c1-11-13-15-22-32-43(8,9)42(55)46-35(27(5)6)39(52)47(10)31(24-29-19-16-14-17-20-29)41(54)57-36(28(7)12-2)40(53)48-23-18-21-30(48)37(50)45-34(26(3)4)38(51)44-25-33(49)56-32/h1,14,16-17,19-20,26-28,30-32,34-36H,12-13,15,18,21-25H2,2-10H3,(H,44,51)(H,45,50)(H,46,55)/t28-,30-,31-,32-,34-,35-,36-/m0/s1

> <INCHI_KEY>
MUYCJKBADGRSPP-NSYLWNNOSA-N

> <FORMULA>
C43H63N5O9

> <MOLECULAR_WEIGHT>
794.003

> <EXACT_MASS>
793.462578629

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
120

> <JCHEM_AVERAGE_POLARIZABILITY>
86.73422320324275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,9S,13S,16S,19S,24aS)-16-benzyl-19-[(2S)-butan-2-yl]-10,10,15-trimethyl-9-(pent-4-yn-1-yl)-3,13-bis(propan-2-yl)-docosahydropyrrolo[2,1-i]1,13-dioxa-4,7,10,16,19-pentaazacyclodocosane-1,4,7,11,14,17,20-heptone

> <ALOGPS_LOGP>
4.19

> <JCHEM_LOGP>
4.626544049666666

> <ALOGPS_LOGS>
-5.08

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.402930321402003

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.804107915961307

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8755171173496991

> <JCHEM_POLAR_SURFACE_AREA>
180.52

> <JCHEM_REFRACTIVITY>
211.9693

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.57e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S,9S,13S,16S,19S,24aS)-16-benzyl-19-[(2S)-butan-2-yl]-3,13-diisopropyl-10,10,15-trimethyl-9-(pent-4-yn-1-yl)-dodecahydro-2H-pyrrolo[2,1-i]1,13-dioxa-4,7,10,16,19-pentaazacyclodocosane-1,4,7,11,14,17,20-heptone

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0010255 (Pitipeptolide F)

     RDKit          3D

120122  0  0  0  0  0  0  0  0999 V2000
    8.8181    0.0247   -0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7299    0.4333    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3825    0.9164    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8606   -0.0714    1.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204    0.2413    1.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    0.2648    1.0688 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2430    0.6415    1.9115 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458    1.9603    2.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537    2.2237    3.4806 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    3.0212    1.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981    4.3524    1.8307 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6763    5.4838    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2852    6.5918    1.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    5.4554    0.1108 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1357    6.9019   -0.1583 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0242    7.0362   -1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427    7.7867   -0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    4.7404    0.6947 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9761    3.0212   -2.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0916    2.8631   -3.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2560    3.3197   -2.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9945    2.4423   -1.0918 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7865    1.4662   -0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0408    1.5195   -0.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3691    0.3965    0.4755 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2258    1.0600    1.8302 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5817    1.6489    2.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182    0.2055    2.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6232   -0.9579    3.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2481   -0.3338    0.0895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725   -1.2264   -0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1813   -0.8527   -1.8210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4702   -2.6006   -0.9605 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8761   -3.1823    0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3621   -4.5579    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900   -5.6027    0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8779   -6.9435    0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1948   -7.2317    0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0849   -6.1667    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6675   -4.8653    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7066   -3.5285   -1.7351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440   -4.1835   -2.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728   -3.9441   -1.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0782   -5.2063   -1.6282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817   -3.1369   -1.4499 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1080   -4.0454   -1.6357 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0742   -4.6569   -3.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9364   -2.4454   -0.1853 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

PDB for NP0010255 (Pitipeptolide F)

HEADER    PROTEIN                                 01-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-JUL-21         0                                  
HETATM    1  C   UNK     0       8.818   0.025  -0.303  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.730   0.433   0.032  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.383   0.916   0.423  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.861  -0.071   1.470  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.520   0.241   1.988  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.360   0.265   1.069  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.243   0.642   1.912  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.046   1.960   2.310  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.654   2.224   3.481  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.311   3.021   1.320  0.00  0.00           C+0
HETATM   11  N   UNK     0       2.098   4.352   1.831  0.00  0.00           N+0
HETATM   12  C   UNK     0       1.676   5.484   1.062  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.285   6.592   1.160  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.520   5.455   0.111  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.136   6.902  -0.158  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.024   7.036  -1.099  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.243   7.787  -0.589  0.00  0.00           C+0
HETATM   18  N   UNK     0      -0.600   4.740   0.695  0.00  0.00           N+0
HETATM   19  C   UNK     0      -1.642   4.053   0.123  0.00  0.00           C+0
HETATM   20  O   UNK     0      -2.832   4.520   0.354  0.00  0.00           O+0
HETATM   21  C   UNK     0      -1.644   2.838  -0.729  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.976   3.021  -2.074  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.092   2.863  -3.128  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.256   3.320  -2.240  0.00  0.00           C+0
HETATM   25  N   UNK     0      -2.994   2.442  -1.092  0.00  0.00           N+0
HETATM   26  C   UNK     0      -3.787   1.466  -0.459  0.00  0.00           C+0
HETATM   27  O   UNK     0      -5.041   1.520  -0.735  0.00  0.00           O+0
HETATM   28  C   UNK     0      -3.369   0.397   0.476  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.226   1.060   1.830  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.582   1.649   2.188  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.718   0.206   2.928  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.623  -0.958   3.186  0.00  0.00           C+0
HETATM   33  O   UNK     0      -2.248  -0.334   0.090  0.00  0.00           O+0
HETATM   34  C   UNK     0      -1.972  -1.226  -0.866  0.00  0.00           C+0
HETATM   35  O   UNK     0      -1.181  -0.853  -1.821  0.00  0.00           O+0
HETATM   36  C   UNK     0      -2.470  -2.601  -0.961  0.00  0.00           C+0
HETATM   37  C   UNK     0      -2.876  -3.182   0.396  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.362  -4.558   0.326  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.490  -5.603   0.512  0.00  0.00           C+0
HETATM   40  C   UNK     0      -2.878  -6.944   0.461  0.00  0.00           C+0
HETATM   41  C   UNK     0      -4.195  -7.232   0.215  0.00  0.00           C+0
HETATM   42  C   UNK     0      -5.085  -6.167   0.026  0.00  0.00           C+0
HETATM   43  C   UNK     0      -4.668  -4.865   0.082  0.00  0.00           C+0
HETATM   44  N   UNK     0      -1.707  -3.529  -1.735  0.00  0.00           N+0
HETATM   45  C   UNK     0      -2.444  -4.184  -2.849  0.00  0.00           C+0
HETATM   46  C   UNK     0      -0.373  -3.944  -1.611  0.00  0.00           C+0
HETATM   47  O   UNK     0      -0.078  -5.206  -1.628  0.00  0.00           O+0
HETATM   48  C   UNK     0       0.882  -3.137  -1.450  0.00  0.00           C+0
HETATM   49  C   UNK     0       2.108  -4.045  -1.636  0.00  0.00           C+0
HETATM   50  C   UNK     0       2.074  -4.657  -3.049  0.00  0.00           C+0
HETATM   51  C   UNK     0       2.154  -5.197  -0.705  0.00  0.00           C+0
HETATM   52  N   UNK     0       0.936  -2.445  -0.185  0.00  0.00           N+0
HETATM   53  C   UNK     0       1.593  -1.304   0.233  0.00  0.00           C+0
HETATM   54  O   UNK     0       0.844  -0.320   0.618  0.00  0.00           O+0
HETATM   55  C   UNK     0       3.049  -1.008   0.321  0.00  0.00           C+0
HETATM   56  C   UNK     0       3.824  -2.190   0.862  0.00  0.00           C+0
HETATM   57  C   UNK     0       3.529  -0.751  -1.091  0.00  0.00           C+0
HETATM   58  H   UNK     0       9.779  -0.323  -0.613  0.00  0.00           H+0
HETATM   59  H   UNK     0       5.786   0.914  -0.499  0.00  0.00           H+0
HETATM   60  H   UNK     0       6.478   1.923   0.838  0.00  0.00           H+0
HETATM   61  H   UNK     0       6.581   0.060   2.345  0.00  0.00           H+0
HETATM   62  H   UNK     0       6.079  -1.053   1.081  0.00  0.00           H+0
HETATM   63  H   UNK     0       4.597   1.313   2.373  0.00  0.00           H+0
HETATM   64  H   UNK     0       4.290  -0.295   2.964  0.00  0.00           H+0
HETATM   65  H   UNK     0       3.483   1.125   0.385  0.00  0.00           H+0
HETATM   66  H   UNK     0       3.425   2.977   1.109  0.00  0.00           H+0
HETATM   67  H   UNK     0       1.832   2.850   0.336  0.00  0.00           H+0
HETATM   68  H   UNK     0       2.276   4.510   2.849  0.00  0.00           H+0
HETATM   69  H   UNK     0       0.952   4.968  -0.785  0.00  0.00           H+0
HETATM   70  H   UNK     0      -0.232   7.290   0.840  0.00  0.00           H+0
HETATM   71  H   UNK     0      -2.013   7.024  -0.565  0.00  0.00           H+0
HETATM   72  H   UNK     0      -1.077   6.305  -1.900  0.00  0.00           H+0
HETATM   73  H   UNK     0      -1.008   8.048  -1.602  0.00  0.00           H+0
HETATM   74  H   UNK     0       0.875   8.405  -1.462  0.00  0.00           H+0
HETATM   75  H   UNK     0       1.565   8.557   0.144  0.00  0.00           H+0
HETATM   76  H   UNK     0       2.117   7.238  -1.054  0.00  0.00           H+0
HETATM   77  H   UNK     0      -0.591   4.784   1.774  0.00  0.00           H+0
HETATM   78  H   UNK     0      -1.104   1.988  -0.238  0.00  0.00           H+0
HETATM   79  H   UNK     0      -0.588   4.015  -2.272  0.00  0.00           H+0
HETATM   80  H   UNK     0      -0.252   2.207  -2.300  0.00  0.00           H+0
HETATM   81  H   UNK     0      -2.287   1.819  -3.378  0.00  0.00           H+0
HETATM   82  H   UNK     0      -1.955   3.534  -3.984  0.00  0.00           H+0
HETATM   83  H   UNK     0      -3.084   4.347  -1.931  0.00  0.00           H+0
HETATM   84  H   UNK     0      -4.231   3.122  -2.711  0.00  0.00           H+0
HETATM   85  H   UNK     0      -4.220  -0.345   0.519  0.00  0.00           H+0
HETATM   86  H   UNK     0      -2.524   1.904   1.713  0.00  0.00           H+0
HETATM   87  H   UNK     0      -5.418   1.061   1.778  0.00  0.00           H+0
HETATM   88  H   UNK     0      -4.637   2.729   1.968  0.00  0.00           H+0
HETATM   89  H   UNK     0      -4.677   1.572   3.298  0.00  0.00           H+0
HETATM   90  H   UNK     0      -1.680  -0.133   2.635  0.00  0.00           H+0
HETATM   91  H   UNK     0      -2.563   0.854   3.812  0.00  0.00           H+0
HETATM   92  H   UNK     0      -4.085  -0.922   4.206  0.00  0.00           H+0
HETATM   93  H   UNK     0      -4.462  -1.010   2.458  0.00  0.00           H+0
HETATM   94  H   UNK     0      -3.083  -1.926   3.126  0.00  0.00           H+0
HETATM   95  H   UNK     0      -3.482  -2.459  -1.466  0.00  0.00           H+0
HETATM   96  H   UNK     0      -3.675  -2.584   0.844  0.00  0.00           H+0
HETATM   97  H   UNK     0      -1.994  -3.051   1.052  0.00  0.00           H+0
HETATM   98  H   UNK     0      -1.431  -5.439   0.719  0.00  0.00           H+0
HETATM   99  H   UNK     0      -2.167  -7.744   0.611  0.00  0.00           H+0
HETATM  100  H   UNK     0      -4.555  -8.256   0.165  0.00  0.00           H+0
HETATM  101  H   UNK     0      -6.115  -6.474  -0.166  0.00  0.00           H+0
HETATM  102  H   UNK     0      -5.383  -4.081  -0.068  0.00  0.00           H+0
HETATM  103  H   UNK     0      -2.330  -3.577  -3.790  0.00  0.00           H+0
HETATM  104  H   UNK     0      -2.060  -5.181  -3.067  0.00  0.00           H+0
HETATM  105  H   UNK     0      -3.549  -4.144  -2.663  0.00  0.00           H+0
HETATM  106  H   UNK     0       0.995  -2.441  -2.339  0.00  0.00           H+0
HETATM  107  H   UNK     0       3.055  -3.496  -1.592  0.00  0.00           H+0
HETATM  108  H   UNK     0       3.047  -4.557  -3.564  0.00  0.00           H+0
HETATM  109  H   UNK     0       1.732  -5.691  -3.018  0.00  0.00           H+0
HETATM  110  H   UNK     0       1.331  -4.049  -3.634  0.00  0.00           H+0
HETATM  111  H   UNK     0       1.521  -5.042   0.222  0.00  0.00           H+0
HETATM  112  H   UNK     0       3.184  -5.269  -0.272  0.00  0.00           H+0
HETATM  113  H   UNK     0       1.977  -6.195  -1.152  0.00  0.00           H+0
HETATM  114  H   UNK     0       0.321  -2.934   0.564  0.00  0.00           H+0
HETATM  115  H   UNK     0       4.569  -2.601   0.155  0.00  0.00           H+0
HETATM  116  H   UNK     0       4.148  -2.082   1.897  0.00  0.00           H+0
HETATM  117  H   UNK     0       3.061  -3.033   0.923  0.00  0.00           H+0
HETATM  118  H   UNK     0       2.839  -1.110  -1.875  0.00  0.00           H+0
HETATM  119  H   UNK     0       4.546  -1.217  -1.257  0.00  0.00           H+0
HETATM  120  H   UNK     0       3.627   0.353  -1.318  0.00  0.00           H+0
CONECT    1    2   58                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   59   60                                             
CONECT    4    3    5   61   62                                             
CONECT    5    4    6   63   64                                             
CONECT    6    5    7   55   65                                             
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   66   67                                             
CONECT   11   10   12   68                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   18   69                                             
CONECT   15   14   16   17   70                                             
CONECT   16   15   71   72   73                                             
CONECT   17   15   74   75   76                                             
CONECT   18   14   19   77                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   25   78                                             
CONECT   22   21   23   79   80                                             
CONECT   23   22   24   81   82                                             
CONECT   24   23   25   83   84                                             
CONECT   25   24   26   21                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   33   85                                             
CONECT   29   28   30   31   86                                             
CONECT   30   29   87   88   89                                             
CONECT   31   29   32   90   91                                             
CONECT   32   31   92   93   94                                             
CONECT   33   28   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   44   95                                             
CONECT   37   36   38   96   97                                             
CONECT   38   37   39   43                                                  
CONECT   39   38   40   98                                                  
CONECT   40   39   41   99                                                  
CONECT   41   40   42  100                                                  
CONECT   42   41   43  101                                                  
CONECT   43   42   38  102                                                  
CONECT   44   36   45   46                                                  
CONECT   45   44  103  104  105                                             
CONECT   46   44   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   52  106                                             
CONECT   49   48   50   51  107                                             
CONECT   50   49  108  109  110                                             
CONECT   51   49  111  112  113                                             
CONECT   52   48   53  114                                                  
CONECT   53   52   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56   57    6                                             
CONECT   56   55  115  116  117                                             
CONECT   57   55  118  119  120                                             
CONECT   58    1                                                            
CONECT   59    3                                                            
CONECT   60    3                                                            
CONECT   61    4                                                            
CONECT   62    4                                                            
CONECT   63    5                                                            
CONECT   64    5                                                            
CONECT   65    6                                                            
CONECT   66   10                                                            
CONECT   67   10                                                            
CONECT   68   11                                                            
CONECT   69   14                                                            
CONECT   70   15                                                            
CONECT   71   16                                                            
CONECT   72   16                                                            
CONECT   73   16                                                            
CONECT   74   17                                                            
CONECT   75   17                                                            
CONECT   76   17                                                            
CONECT   77   18                                                            
CONECT   78   21                                                            
CONECT   79   22                                                            
CONECT   80   22                                                            
CONECT   81   23                                                            
CONECT   82   23                                                            
CONECT   83   24                                                            
CONECT   84   24                                                            
CONECT   85   28                                                            
CONECT   86   29                                                            
CONECT   87   30                                                            
CONECT   88   30                                                            
CONECT   89   30                                                            
CONECT   90   31                                                            
CONECT   91   31                                                            
CONECT   92   32                                                            
CONECT   93   32                                                            
CONECT   94   32                                                            
CONECT   95   36                                                            
CONECT   96   37                                                            
CONECT   97   37                                                            
CONECT   98   39                                                            
CONECT   99   40                                                            
CONECT  100   41                                                            
CONECT  101   42                                                            
CONECT  102   43                                                            
CONECT  103   45                                                            
CONECT  104   45                                                            
CONECT  105   45                                                            
CONECT  106   48                                                            
CONECT  107   49                                                            
CONECT  108   50                                                            
CONECT  109   50                                                            
CONECT  110   50                                                            
CONECT  111   51                                                            
CONECT  112   51                                                            
CONECT  113   51                                                            
CONECT  114   52                                                            
CONECT  115   56                                                            
CONECT  116   56                                                            
CONECT  117   56                                                            
CONECT  118   57                                                            
CONECT  119   57                                                            
CONECT  120   57                                                            
MASTER        0    0    0    0    0    0    0    0  120    0  244    0
END
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3D PDB for NP0010255 (Pitipeptolide F)

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SMILES for NP0010255 (Pitipeptolide F)
[H]C#CC([H])([H])C([H])([H])C([H])([H])[C@]1([H])OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(OC(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)C1(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
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INCHI for NP0010255 (Pitipeptolide F)
InChI=1S/C43H63N5O9/c1-11-13-15-22-32-43(8,9)42(55)46-35(27(5)6)39(52)47(10)31(24-29-19-16-14-17-20-29)41(54)57-36(28(7)12-2)40(53)48-23-18-21-30(48)37(50)45-34(26(3)4)38(51)44-25-33(49)56-32/h1,14,16-17,19-20,26-28,30-32,34-36H,12-13,15,18,21-25H2,2-10H3,(H,44,51)(H,45,50)(H,46,55)/t28-,30-,31-,32-,34-,35-,36-/m0/s1
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View in JSmolView NMR Assignments
SynonymsNot Available
Chemical FormulaC43H63N5O9
Average Mass794.0030 Da
Monoisotopic Mass793.46258 Da
IUPAC Name(3S,9S,13S,16S,19S,24aS)-16-benzyl-19-[(2S)-butan-2-yl]-10,10,15-trimethyl-9-(pent-4-yn-1-yl)-3,13-bis(propan-2-yl)-docosahydropyrrolo[2,1-i]1,13-dioxa-4,7,10,16,19-pentaazacyclodocosane-1,4,7,11,14,17,20-heptone
Traditional Name(3S,9S,13S,16S,19S,24aS)-16-benzyl-19-[(2S)-butan-2-yl]-3,13-diisopropyl-10,10,15-trimethyl-9-(pent-4-yn-1-yl)-dodecahydro-2H-pyrrolo[2,1-i]1,13-dioxa-4,7,10,16,19-pentaazacyclodocosane-1,4,7,11,14,17,20-heptone
CAS Registry NumberNot Available
SMILES
CC[C@H](C)[C@@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H](NC(=O)C(C)(C)[C@H](CCCC#C)OC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(C)C)C(C)C
InChI Identifier
InChI=1S/C43H63N5O9/c1-11-13-15-22-32-43(8,9)42(55)46-35(27(5)6)39(52)47(10)31(24-29-19-16-14-17-20-29)41(54)57-36(28(7)12-2)40(53)48-23-18-21-30(48)37(50)45-34(26(3)4)38(51)44-25-33(49)56-32/h1,14,16-17,19-20,26-28,30-32,34-36H,12-13,15,18,21-25H2,2-10H3,(H,44,51)(H,45,50)(H,46,55)/t28-,30-,31-,32-,34-,35-,36-/m0/s1
InChI KeyMUYCJKBADGRSPP-NSYLWNNOSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Lyngbya majusculaNPAtlas
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.
KingdomOrganic compounds  
Super ClassOrganic acids and derivatives  
ClassPeptidomimetics  
Sub ClassDepsipeptides  
Direct ParentCyclic depsipeptides  
Alternative Parents
Substituents
  • Cyclic depsipeptide
    • 

  • Macrolide lactam
    • 

  • Alpha-amino acid ester
    • 

  • Macrolactam
    • 

  • Macrolide
    • 

  • Alpha-amino acid or derivatives
    • 

  • Monocyclic benzene moiety
    • 

  • Dicarboxylic acid or derivatives
    • 

  • Benzenoid
    • 

  • Tertiary carboxylic acid amide
    • 

  • Pyrrolidine
    • 

  • Carboxamide group
    • 

  • Carboxylic acid ester
    • 

  • Lactam
    • 

  • Lactone
    • 

  • Secondary carboxylic acid amide
    • 

  • Acetylide
    • 

  • Carboxylic acid derivative
    • 

  • Oxacycle
    • 

  • Azacycle
    • 

  • Organoheterocyclic compound
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxide
    • 

  • Organic oxygen compound
    • 

  • Organic nitrogen compound
    • 

  • Organopnictogen compound
    • 

  • Carbonyl group
    • 

  • Organooxygen compound
    • 

  • Organonitrogen compound
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP4.19ALOGPS
logP4.63ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)11.8ChemAxon
pKa (Strongest Basic)-0.88ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area180.52 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity211.97 m³·mol⁻¹ChemAxon
Polarizability86.73 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
NPAtlas IDNPA005167  
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID27025723  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound54597439  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Montaser R, Paul VJ, Luesch H: Pitipeptolides C-F, antimycobacterial cyclodepsipeptides from the marine cyanobacterium Lyngbya majuscula from Guam. Phytochemistry. 2011 Nov;72(16):2068-74. doi: 10.1016/j.phytochem.2011.07.014. Epub 2011 Aug 16. [PubMed:21843895  ]