Showing NP-Card for Hypelcin B-IV (NP0022678)
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Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 07:52:05 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:39:41 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0022678 | ||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Hypelcin B-IV | ||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||
Description | Hypelcin B-IV is found in Trichoderma peltatum. It was first documented in 1994 (PMID: 8069957). Based on a literature review very few articles have been published on Hypelcin B-IV. | ||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0022678 (Hypelcin B-IV)Mrv1652307042108103D 288289 0 0 0 0 999 V2000 4.3773 5.3738 -5.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 6.5976 -4.5976 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7250 6.7706 -3.1660 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1676 8.1890 -2.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1675 5.7388 -2.3037 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8384 6.1815 -0.9437 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 6.3318 -0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5386 6.0583 -1.3198 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 6.8228 0.8193 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8665 6.0917 1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 8.2859 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 6.8565 1.0524 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2054 7.5630 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 8.2056 -0.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 7.5653 0.5285 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0609 8.4770 1.6331 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4733 8.2429 2.9729 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8129 6.9542 3.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2617 6.5759 4.8442 N 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 3.1676 8.1890 -2.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1675 5.7388 -2.3037 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8384 6.1815 -0.9437 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 6.3318 -0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5386 6.0583 -1.3198 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 6.8228 0.8193 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8665 6.0917 1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 8.2859 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 6.8565 1.0524 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2054 7.5630 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 8.2056 -0.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 7.5653 0.5285 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0609 8.4770 1.6331 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4733 8.2429 2.9729 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8129 6.9542 3.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2617 6.5759 4.8442 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 6.1927 3.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 8.0612 -0.6729 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5934 7.1596 -1.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1963 5.9612 -1.6863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2991 7.6147 -2.9714 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1416 9.1412 -3.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8092 7.4164 -2.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 7.0045 -4.1833 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8927 5.6189 -4.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3284 4.8021 -3.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 5.0752 -5.7153 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4286 5.1777 -6.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 5.7615 -6.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1255 3.6459 -5.4652 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2223 3.3444 -4.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6945 4.2912 -3.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 1.8995 -4.1155 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0581 1.3775 -5.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 2.0240 -2.8486 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 1.6936 -1.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 1.2680 -1.7842 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3192 1.8002 -0.3006 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8516 3.2358 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1156 0.9208 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 1.4608 0.6832 N 0 0 0 0 0 0 0 0 0 0 0 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55196 1 0 0 0 0 55197 1 0 0 0 0 55198 1 0 0 0 0 56199 1 0 0 0 0 56200 1 0 0 0 0 56201 1 0 0 0 0 57202 1 0 0 0 0 59203 1 0 0 0 0 59204 1 0 0 0 0 59205 1 0 0 0 0 63206 1 0 0 0 0 65207 1 0 0 0 0 65208 1 0 0 0 0 65209 1 0 0 0 0 66210 1 0 0 0 0 66211 1 0 0 0 0 66212 1 0 0 0 0 69213 1 0 0 0 0 70214 1 0 0 0 0 70215 1 0 0 0 0 73216 1 0 0 0 0 75217 1 0 0 0 0 75218 1 0 0 0 0 75219 1 0 0 0 0 76220 1 0 0 0 0 76221 1 0 0 0 0 76222 1 0 0 0 0 79223 1 0 0 0 0 81224 1 0 0 0 0 81225 1 0 0 0 0 81226 1 0 0 0 0 82227 1 0 0 0 0 82228 1 0 0 0 0 82229 1 0 0 0 0 86230 1 0 0 0 0 86231 1 0 0 0 0 87232 1 0 0 0 0 87233 1 0 0 0 0 88234 1 0 0 0 0 88235 1 0 0 0 0 89236 1 6 0 0 0 92237 1 0 0 0 0 93238 1 1 0 0 0 96239 1 0 0 0 0 98240 1 0 0 0 0 98241 1 0 0 0 0 98242 1 0 0 0 0 99243 1 0 0 0 0 99244 1 0 0 0 0 99245 1 0 0 0 0 102246 1 0 0 0 0 104247 1 0 0 0 0 104248 1 0 0 0 0 104249 1 0 0 0 0 105250 1 0 0 0 0 105251 1 0 0 0 0 105252 1 0 0 0 0 108253 1 0 0 0 0 109254 1 1 0 0 0 110255 1 0 0 0 0 110256 1 0 0 0 0 111257 1 0 0 0 0 111258 1 0 0 0 0 114259 1 0 0 0 0 117260 1 0 0 0 0 118261 1 1 0 0 0 119262 1 0 0 0 0 119263 1 0 0 0 0 120264 1 0 0 0 0 120265 1 0 0 0 0 122266 1 0 0 0 0 122267 1 0 0 0 0 126268 1 0 0 0 0 127269 1 1 0 0 0 128270 1 0 0 0 0 128271 1 0 0 0 0 129272 1 0 0 0 0 130273 1 0 0 0 0 130274 1 0 0 0 0 131275 1 1 0 0 0 132276 1 0 0 0 0 132277 1 0 0 0 0 132278 1 0 0 0 0 133279 1 0 0 0 0 133280 1 0 0 0 0 133281 1 0 0 0 0 134282 1 6 0 0 0 135283 1 0 0 0 0 135284 1 0 0 0 0 135285 1 0 0 0 0 136286 1 0 0 0 0 136287 1 0 0 0 0 136288 1 0 0 0 0 M END > <DATABASE_ID> NP0022678 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])([H])N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@]2([H])N(C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C89H152N22O25/c1-29-47(6)61(99-74(131)82(13,14)103-65(122)53(35-38-57(91)115)97-73(130)84(17,18)107-76(133)86(21,22)102-62(119)48(7)93-71(128)81(11,12)104-67(124)55-33-31-41-111(55)78(135)88(25,26)100-49(8)113)69(126)106-80(9,10)70(127)92-43-58(116)101-85(19,20)75(132)109-89(27,28)79(136)110-40-30-32-54(110)66(123)98-60(46(4)5)68(125)105-87(23,24)77(134)108-83(15,16)72(129)96-52(36-39-59(117)118)64(121)95-51(34-37-56(90)114)63(120)94-50(44-112)42-45(2)3/h45-48,50-55,60-61,112H,29-44H2,1-28H3,(H2,90,114)(H2,91,115)(H,92,127)(H,93,128)(H,94,120)(H,95,121)(H,96,129)(H,97,130)(H,98,123)(H,99,131)(H,100,113)(H,101,116)(H,102,119)(H,103,122)(H,104,124)(H,105,125)(H,106,126)(H,107,133)(H,108,134)(H,109,132)(H,117,118)/t47-,48-,50+,51-,52+,53-,54+,55-,60+,61+/m1/s1 > <INCHI_KEY> GWPGLZWAOJFLFK-UHFFFAOYSA-N > <FORMULA> C89H152N22O25 > <MOLECULAR_WEIGHT> 1930.324 > <EXACT_MASS> 1929.129898482 > <JCHEM_ACCEPTOR_COUNT> 25 > <JCHEM_ATOM_COUNT> 288 > <JCHEM_AVERAGE_POLARIZABILITY> 201.9666687480057 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 22 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (4S)-4-{[(1R)-3-carbamoyl-1-{[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2S)-1-{2-[2-(2-{2-[(2S,3R)-2-{2-[(2R)-4-carbamoyl-2-(2-{2-[(2R)-2-(2-{[(2R)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)butanamido]-2-methylpropanamido}-3-methylpentanamido]-2-methylpropanamido}acetamido)-2-methylpropanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid > <JCHEM_LOGP> -6.16944250433333 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 11.406072685416381 > <JCHEM_PKA_STRONGEST_ACIDIC> 4.0946937563800345 > <JCHEM_POLAR_SURFACE_AREA> 708.1299999999999 > <JCHEM_REFRACTIVITY> 489.023 > <JCHEM_ROTATABLE_BOND_COUNT> 52 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> (4S)-4-{[(1R)-3-carbamoyl-1-{[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2S)-1-{2-[2-(2-{2-[(2S,3R)-2-{2-[(2R)-4-carbamoyl-2-(2-{2-[(2R)-2-(2-{[(2R)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)butanamido]-2-methylpropanamido}-3-methylpentanamido]-2-methylpropanamido}acetamido)-2-methylpropanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0022678 (Hypelcin B-IV)RDKit 3D 288289 0 0 0 0 0 0 0 0999 V2000 4.3773 5.3738 -5.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 6.5976 -4.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 6.7706 -3.1660 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1676 8.1890 -2.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1675 5.7388 -2.3037 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8384 6.1815 -0.9437 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 6.3318 -0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5386 6.0583 -1.3198 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 6.8228 0.8193 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8665 6.0917 1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 8.2859 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 6.8565 1.0524 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2054 7.5630 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 8.2056 -0.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 7.5653 0.5285 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0609 8.4770 1.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4733 8.2429 2.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8129 6.9542 3.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2617 6.5759 4.8442 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 6.1927 3.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 8.0612 -0.6729 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5934 7.1596 -1.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1963 5.9612 -1.6863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2991 7.6147 -2.9714 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1416 9.1412 -3.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8092 7.4164 -2.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 7.0045 -4.1833 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8927 5.6189 -4.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3284 4.8021 -3.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 5.0752 -5.7153 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4286 5.1777 -6.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 5.7615 -6.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1255 3.6459 -5.4652 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2223 3.3444 -4.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6945 4.2912 -3.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 1.8995 -4.1155 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0581 1.3775 -5.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 2.0240 -2.8486 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 1.6936 -1.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 1.2680 -1.7842 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3192 1.8002 -0.3006 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8516 3.2358 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1156 0.9208 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 1.4608 0.6832 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 2.1338 0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8573 3.0220 -0.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6466 1.8294 1.6974 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8633 3.1009 2.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3773 3.3060 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6551 2.8838 1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9362 1.6371 1.0334 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 0.4121 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6430 -0.6314 0.5435 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7500 0.3145 -0.0796 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7772 0.6059 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8741 1.2803 -1.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9994 -1.0403 -0.5583 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2331 -1.3667 -1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5300 -2.7287 -1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1357 -0.5007 -1.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9661 4.4648 -2.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3672 3.5411 -1.5286 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2593 4.2986 -2.6365 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1251 3.2025 -2.6532 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5099 2.0973 -3.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4657 3.4868 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3548 2.4254 -1.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3709 2.0639 -0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 2.1038 -0.9689 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1031 1.3343 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 -0.1140 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 -0.5418 -0.9183 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2222 -1.0330 1.0644 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -2.4416 1.0460 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6586 -3.0401 2.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9671 -2.9635 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6941 -2.9934 0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6976 -2.2492 0.8832 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5449 -4.3823 0.7263 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 -5.1780 0.5555 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7701 -6.6447 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5405 -4.7300 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5376 -5.2402 1.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 -4.5963 2.8106 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3474 -5.9285 1.9255 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7212 -6.7483 0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -8.0423 1.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 -7.6512 3.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 -6.1217 2.9802 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4352 -5.4976 4.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 -6.2598 5.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7307 -4.1475 4.6019 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 -3.7050 6.0099 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5322 -2.7421 6.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -2.4067 4.8871 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9089 -2.1369 7.1358 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 -1.2143 6.8999 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2114 -0.0696 6.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7349 -0.6642 8.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2118 -2.0309 6.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 -3.2932 6.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3056 -1.4193 5.5119 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3107 -2.1414 4.7609 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2953 -1.1503 4.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1095 -2.9208 5.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7658 -3.0534 3.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 -3.2476 3.6162 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6173 -3.8028 2.8657 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 -4.7234 1.9017 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9147 -5.8999 1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 -6.7089 2.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0558 -7.8697 2.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 -8.1280 1.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -8.7282 3.6363 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 -4.0132 0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2032 -2.8226 0.5232 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2248 -4.6851 -0.4978 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9813 -4.0498 -1.7712 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4044 -4.8306 -2.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8619 -5.1863 -3.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 -4.0287 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1787 -4.1430 -3.0727 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2779 -2.8526 -3.1441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5099 -3.6871 -1.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 -3.9274 -0.8553 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -3.1186 -3.0404 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -2.7392 -3.2057 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3479 -1.3522 -3.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 -1.3637 -5.0424 O 0 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HETATM 4 C UNK 0 3.168 8.189 -2.929 0.00 0.00 C+0 HETATM 5 C UNK 0 3.167 5.739 -2.304 0.00 0.00 C+0 HETATM 6 N UNK 0 2.838 6.181 -0.944 0.00 0.00 N+0 HETATM 7 C UNK 0 1.502 6.332 -0.537 0.00 0.00 C+0 HETATM 8 O UNK 0 0.539 6.058 -1.320 0.00 0.00 O+0 HETATM 9 C UNK 0 1.130 6.823 0.819 0.00 0.00 C+0 HETATM 10 C UNK 0 1.867 6.092 1.914 0.00 0.00 C+0 HETATM 11 C UNK 0 1.588 8.286 0.915 0.00 0.00 C+0 HETATM 12 N UNK 0 -0.293 6.856 1.052 0.00 0.00 N+0 HETATM 13 C UNK 0 -1.205 7.563 0.244 0.00 0.00 C+0 HETATM 14 O UNK 0 -0.800 8.206 -0.743 0.00 0.00 O+0 HETATM 15 C UNK 0 -2.683 7.565 0.529 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.061 8.477 1.633 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.473 8.243 2.973 0.00 0.00 C+0 HETATM 18 C UNK 0 -2.813 6.954 3.603 0.00 0.00 C+0 HETATM 19 N UNK 0 -2.262 6.576 4.844 0.00 0.00 N+0 HETATM 20 O UNK 0 -3.605 6.193 3.021 0.00 0.00 O+0 HETATM 21 N UNK 0 -3.366 8.061 -0.673 0.00 0.00 N+0 HETATM 22 C UNK 0 -3.593 7.160 -1.752 0.00 0.00 C+0 HETATM 23 O UNK 0 -3.196 5.961 -1.686 0.00 0.00 O+0 HETATM 24 C UNK 0 -4.299 7.615 -2.971 0.00 0.00 C+0 HETATM 25 C UNK 0 -4.142 9.141 -3.101 0.00 0.00 C+0 HETATM 26 C UNK 0 -5.809 7.416 -2.795 0.00 0.00 C+0 HETATM 27 N UNK 0 -3.847 7.005 -4.183 0.00 0.00 N+0 HETATM 28 C UNK 0 -3.893 5.619 -4.404 0.00 0.00 C+0 HETATM 29 O UNK 0 -4.328 4.802 -3.576 0.00 0.00 O+0 HETATM 30 C UNK 0 -3.383 5.075 -5.715 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.429 5.178 -6.783 0.00 0.00 C+0 HETATM 32 C UNK 0 -2.098 5.761 -6.032 0.00 0.00 C+0 HETATM 33 N UNK 0 -3.126 3.646 -5.465 0.00 0.00 N+0 HETATM 34 C UNK 0 -2.222 3.344 -4.430 0.00 0.00 C+0 HETATM 35 O UNK 0 -1.694 4.291 -3.780 0.00 0.00 O+0 HETATM 36 C UNK 0 -1.907 1.900 -4.115 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.058 1.377 -5.230 0.00 0.00 C+0 HETATM 38 N UNK 0 -1.157 2.024 -2.849 0.00 0.00 N+0 HETATM 39 C UNK 0 -1.843 1.694 -1.679 0.00 0.00 C+0 HETATM 40 O UNK 0 -3.048 1.268 -1.784 0.00 0.00 O+0 HETATM 41 C UNK 0 -1.319 1.800 -0.301 0.00 0.00 C+0 HETATM 42 C UNK 0 -0.852 3.236 -0.102 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.116 0.921 -0.116 0.00 0.00 C+0 HETATM 44 N UNK 0 -2.336 1.461 0.683 0.00 0.00 N+0 HETATM 45 C UNK 0 -3.593 2.134 0.703 0.00 0.00 C+0 HETATM 46 O UNK 0 -3.857 3.022 -0.138 0.00 0.00 O+0 HETATM 47 C UNK 0 -4.647 1.829 1.697 0.00 0.00 C+0 HETATM 48 C UNK 0 -4.863 3.101 2.516 0.00 0.00 C+0 HETATM 49 C UNK 0 -6.377 3.306 2.499 0.00 0.00 C+0 HETATM 50 C UNK 0 -6.655 2.884 1.042 0.00 0.00 C+0 HETATM 51 N UNK 0 -5.936 1.637 1.033 0.00 0.00 N+0 HETATM 52 C UNK 0 -6.395 0.412 0.510 0.00 0.00 C+0 HETATM 53 O UNK 0 -5.643 -0.631 0.544 0.00 0.00 O+0 HETATM 54 C UNK 0 -7.750 0.315 -0.080 0.00 0.00 C+0 HETATM 55 C UNK 0 -8.777 0.606 1.031 0.00 0.00 C+0 HETATM 56 C UNK 0 -7.874 1.280 -1.221 0.00 0.00 C+0 HETATM 57 N UNK 0 -7.999 -1.040 -0.558 0.00 0.00 N+0 HETATM 58 C UNK 0 -9.233 -1.367 -1.156 0.00 0.00 C+0 HETATM 59 C UNK 0 -9.530 -2.729 -1.646 0.00 0.00 C+0 HETATM 60 O UNK 0 -10.136 -0.501 -1.293 0.00 0.00 O+0 HETATM 61 C UNK 0 3.966 4.465 -2.150 0.00 0.00 C+0 HETATM 62 O UNK 0 3.367 3.541 -1.529 0.00 0.00 O+0 HETATM 63 N UNK 0 5.259 4.299 -2.636 0.00 0.00 N+0 HETATM 64 C UNK 0 6.125 3.203 -2.653 0.00 0.00 C+0 HETATM 65 C UNK 0 5.510 2.097 -3.608 0.00 0.00 C+0 HETATM 66 C UNK 0 7.466 3.487 -3.282 0.00 0.00 C+0 HETATM 67 C UNK 0 6.355 2.425 -1.396 0.00 0.00 C+0 HETATM 68 O UNK 0 5.371 2.064 -0.730 0.00 0.00 O+0 HETATM 69 N UNK 0 7.659 2.104 -0.969 0.00 0.00 N+0 HETATM 70 C UNK 0 8.103 1.334 0.148 0.00 0.00 C+0 HETATM 71 C UNK 0 7.804 -0.114 0.066 0.00 0.00 C+0 HETATM 72 O UNK 0 7.176 -0.542 -0.918 0.00 0.00 O+0 HETATM 73 N UNK 0 8.222 -1.033 1.064 0.00 0.00 N+0 HETATM 74 C UNK 0 8.042 -2.442 1.046 0.00 0.00 C+0 HETATM 75 C UNK 0 8.659 -3.040 2.323 0.00 0.00 C+0 HETATM 76 C UNK 0 8.967 -2.963 -0.082 0.00 0.00 C+0 HETATM 77 C UNK 0 6.694 -2.993 0.884 0.00 0.00 C+0 HETATM 78 O UNK 0 5.698 -2.249 0.883 0.00 0.00 O+0 HETATM 79 N UNK 0 6.545 -4.382 0.726 0.00 0.00 N+0 HETATM 80 C UNK 0 5.376 -5.178 0.556 0.00 0.00 C+0 HETATM 81 C UNK 0 5.770 -6.645 0.316 0.00 0.00 C+0 HETATM 82 C UNK 0 4.540 -4.730 -0.614 0.00 0.00 C+0 HETATM 83 C UNK 0 4.538 -5.240 1.813 0.00 0.00 C+0 HETATM 84 O UNK 0 5.006 -4.596 2.811 0.00 0.00 O+0 HETATM 85 N UNK 0 3.347 -5.928 1.926 0.00 0.00 N+0 HETATM 86 C UNK 0 2.721 -6.748 0.836 0.00 0.00 C+0 HETATM 87 C UNK 0 2.427 -8.042 1.602 0.00 0.00 C+0 HETATM 88 C UNK 0 2.448 -7.651 3.081 0.00 0.00 C+0 HETATM 89 C UNK 0 2.419 -6.122 2.980 0.00 0.00 C+0 HETATM 90 C UNK 0 2.435 -5.498 4.252 0.00 0.00 C+0 HETATM 91 O UNK 0 2.124 -6.260 5.265 0.00 0.00 O+0 HETATM 92 N UNK 0 2.731 -4.147 4.602 0.00 0.00 N+0 HETATM 93 C UNK 0 2.648 -3.705 6.010 0.00 0.00 C+0 HETATM 94 C UNK 0 1.532 -2.742 6.037 0.00 0.00 C+0 HETATM 95 O UNK 0 1.054 -2.407 4.887 0.00 0.00 O+0 HETATM 96 N UNK 0 0.909 -2.137 7.136 0.00 0.00 N+0 HETATM 97 C UNK 0 -0.226 -1.214 6.900 0.00 0.00 C+0 HETATM 98 C UNK 0 0.211 -0.070 6.020 0.00 0.00 C+0 HETATM 99 C UNK 0 -0.735 -0.664 8.193 0.00 0.00 C+0 HETATM 100 C UNK 0 -1.212 -2.031 6.162 0.00 0.00 C+0 HETATM 101 O UNK 0 -1.059 -3.293 6.116 0.00 0.00 O+0 HETATM 102 N UNK 0 -2.306 -1.419 5.512 0.00 0.00 N+0 HETATM 103 C UNK 0 -3.311 -2.141 4.761 0.00 0.00 C+0 HETATM 104 C UNK 0 -4.295 -1.150 4.192 0.00 0.00 C+0 HETATM 105 C UNK 0 -4.109 -2.921 5.832 0.00 0.00 C+0 HETATM 106 C UNK 0 -2.766 -3.053 3.760 0.00 0.00 C+0 HETATM 107 O UNK 0 -1.548 -3.248 3.616 0.00 0.00 O+0 HETATM 108 N UNK 0 -3.617 -3.803 2.866 0.00 0.00 N+0 HETATM 109 C UNK 0 -3.041 -4.723 1.902 0.00 0.00 C+0 HETATM 110 C UNK 0 -3.915 -5.900 1.663 0.00 0.00 C+0 HETATM 111 C UNK 0 -4.178 -6.709 2.918 0.00 0.00 C+0 HETATM 112 C UNK 0 -5.056 -7.870 2.598 0.00 0.00 C+0 HETATM 113 O UNK 0 -5.481 -8.128 1.453 0.00 0.00 O+0 HETATM 114 O UNK 0 -5.430 -8.728 3.636 0.00 0.00 O+0 HETATM 115 C UNK 0 -2.831 -4.013 0.597 0.00 0.00 C+0 HETATM 116 O UNK 0 -3.203 -2.823 0.523 0.00 0.00 O+0 HETATM 117 N UNK 0 -2.225 -4.685 -0.498 0.00 0.00 N+0 HETATM 118 C UNK 0 -1.981 -4.050 -1.771 0.00 0.00 C+0 HETATM 119 C UNK 0 -2.404 -4.831 -2.961 0.00 0.00 C+0 HETATM 120 C UNK 0 -3.862 -5.186 -3.032 0.00 0.00 C+0 HETATM 121 C UNK 0 -4.771 -4.029 -3.084 0.00 0.00 C+0 HETATM 122 N UNK 0 -6.179 -4.143 -3.073 0.00 0.00 N+0 HETATM 123 O UNK 0 -4.278 -2.853 -3.144 0.00 0.00 O+0 HETATM 124 C UNK 0 -0.510 -3.687 -1.868 0.00 0.00 C+0 HETATM 125 O UNK 0 0.192 -3.927 -0.855 0.00 0.00 O+0 HETATM 126 N UNK 0 -0.015 -3.119 -3.040 0.00 0.00 N+0 HETATM 127 C UNK 0 1.395 -2.739 -3.206 0.00 0.00 C+0 HETATM 128 C UNK 0 1.348 -1.352 -3.800 0.00 0.00 C+0 HETATM 129 O UNK 0 0.687 -1.364 -5.042 0.00 0.00 O+0 HETATM 130 C UNK 0 2.114 -3.675 -4.096 0.00 0.00 C+0 HETATM 131 C UNK 0 3.556 -3.457 -4.337 0.00 0.00 C+0 HETATM 132 C UNK 0 4.005 -2.198 -4.968 0.00 0.00 C+0 HETATM 133 C UNK 0 4.146 -4.633 -5.121 0.00 0.00 C+0 HETATM 134 C UNK 0 3.935 -3.042 6.432 0.00 0.00 C+0 HETATM 135 C UNK 0 5.085 -4.006 6.282 0.00 0.00 C+0 HETATM 136 C UNK 0 3.885 -2.652 7.905 0.00 0.00 C+0 HETATM 137 H UNK 0 4.040 5.414 -6.366 0.00 0.00 H+0 HETATM 138 H UNK 0 5.466 5.280 -5.289 0.00 0.00 H+0 HETATM 139 H UNK 0 3.855 4.438 -4.926 0.00 0.00 H+0 HETATM 140 H UNK 0 3.001 7.038 -5.112 0.00 0.00 H+0 HETATM 141 H UNK 0 4.702 7.412 -4.911 0.00 0.00 H+0 HETATM 142 H UNK 0 4.828 6.937 -2.731 0.00 0.00 H+0 HETATM 143 H UNK 0 3.457 8.562 -1.941 0.00 0.00 H+0 HETATM 144 H UNK 0 3.645 8.892 -3.671 0.00 0.00 H+0 HETATM 145 H UNK 0 2.089 8.233 -3.138 0.00 0.00 H+0 HETATM 146 H UNK 0 2.169 5.425 -2.751 0.00 0.00 H+0 HETATM 147 H UNK 0 3.610 6.380 -0.296 0.00 0.00 H+0 HETATM 148 H UNK 0 1.931 6.806 2.774 0.00 0.00 H+0 HETATM 149 H UNK 0 2.851 5.734 1.621 0.00 0.00 H+0 HETATM 150 H UNK 0 1.252 5.238 2.252 0.00 0.00 H+0 HETATM 151 H UNK 0 2.668 8.299 1.181 0.00 0.00 H+0 HETATM 152 H UNK 0 1.525 8.765 -0.101 0.00 0.00 H+0 HETATM 153 H UNK 0 0.938 8.833 1.596 0.00 0.00 H+0 HETATM 154 H UNK 0 -0.653 6.316 1.871 0.00 0.00 H+0 HETATM 155 H UNK 0 -2.916 6.518 0.752 0.00 0.00 H+0 HETATM 156 H UNK 0 -2.900 9.555 1.384 0.00 0.00 H+0 HETATM 157 H UNK 0 -4.185 8.373 1.767 0.00 0.00 H+0 HETATM 158 H UNK 0 -1.377 8.452 3.021 0.00 0.00 H+0 HETATM 159 H UNK 0 -2.923 9.033 3.658 0.00 0.00 H+0 HETATM 160 H UNK 0 -1.454 5.910 4.894 0.00 0.00 H+0 HETATM 161 H UNK 0 -2.603 6.928 5.780 0.00 0.00 H+0 HETATM 162 H UNK 0 -3.666 9.027 -0.728 0.00 0.00 H+0 HETATM 163 H UNK 0 -3.069 9.403 -3.043 0.00 0.00 H+0 HETATM 164 H UNK 0 -4.782 9.612 -2.344 0.00 0.00 H+0 HETATM 165 H UNK 0 -4.592 9.395 -4.083 0.00 0.00 H+0 HETATM 166 H UNK 0 -6.401 8.148 -3.357 0.00 0.00 H+0 HETATM 167 H UNK 0 -6.000 7.449 -1.704 0.00 0.00 H+0 HETATM 168 H UNK 0 -6.108 6.404 -3.145 0.00 0.00 H+0 HETATM 169 H UNK 0 -3.461 7.649 -4.944 0.00 0.00 H+0 HETATM 170 H UNK 0 -5.130 4.293 -6.745 0.00 0.00 H+0 HETATM 171 H UNK 0 -5.064 6.070 -6.633 0.00 0.00 H+0 HETATM 172 H UNK 0 -3.942 5.151 -7.764 0.00 0.00 H+0 HETATM 173 H UNK 0 -2.280 6.574 -6.765 0.00 0.00 H+0 HETATM 174 H UNK 0 -1.703 6.237 -5.109 0.00 0.00 H+0 HETATM 175 H UNK 0 -1.299 5.061 -6.365 0.00 0.00 H+0 HETATM 176 H UNK 0 -3.591 2.949 -6.027 0.00 0.00 H+0 HETATM 177 H UNK 0 -2.876 1.419 -3.989 0.00 0.00 H+0 HETATM 178 H UNK 0 -1.414 0.388 -5.521 0.00 0.00 H+0 HETATM 179 H UNK 0 0.008 1.277 -4.914 0.00 0.00 H+0 HETATM 180 H UNK 0 -1.139 2.038 -6.125 0.00 0.00 H+0 HETATM 181 H UNK 0 -0.173 2.337 -2.824 0.00 0.00 H+0 HETATM 182 H UNK 0 -0.504 3.322 0.944 0.00 0.00 H+0 HETATM 183 H UNK 0 -1.637 3.975 -0.296 0.00 0.00 H+0 HETATM 184 H UNK 0 0.001 3.412 -0.770 0.00 0.00 H+0 HETATM 185 H UNK 0 0.634 1.182 -0.896 0.00 0.00 H+0 HETATM 186 H UNK 0 0.408 1.190 0.849 0.00 0.00 H+0 HETATM 187 H UNK 0 -0.385 -0.137 -0.157 0.00 0.00 H+0 HETATM 188 H UNK 0 -2.168 0.727 1.390 0.00 0.00 H+0 HETATM 189 H UNK 0 -4.381 1.048 2.396 0.00 0.00 H+0 HETATM 190 H UNK 0 -4.472 3.947 1.873 0.00 0.00 H+0 HETATM 191 H UNK 0 -4.432 3.066 3.513 0.00 0.00 H+0 HETATM 192 H UNK 0 -6.879 2.605 3.187 0.00 0.00 H+0 HETATM 193 H UNK 0 -6.676 4.351 2.599 0.00 0.00 H+0 HETATM 194 H UNK 0 -7.707 2.837 0.803 0.00 0.00 H+0 HETATM 195 H UNK 0 -6.085 3.590 0.399 0.00 0.00 H+0 HETATM 196 H UNK 0 -9.354 -0.333 1.248 0.00 0.00 H+0 HETATM 197 H UNK 0 -8.261 0.852 1.974 0.00 0.00 H+0 HETATM 198 H UNK 0 -9.532 1.332 0.696 0.00 0.00 H+0 HETATM 199 H UNK 0 -8.817 1.871 -1.144 0.00 0.00 H+0 HETATM 200 H UNK 0 -7.027 1.966 -1.339 0.00 0.00 H+0 HETATM 201 H UNK 0 -7.987 0.714 -2.190 0.00 0.00 H+0 HETATM 202 H UNK 0 -7.261 -1.746 -0.442 0.00 0.00 H+0 HETATM 203 H UNK 0 -9.739 -2.733 -2.738 0.00 0.00 H+0 HETATM 204 H UNK 0 -8.747 -3.467 -1.373 0.00 0.00 H+0 HETATM 205 H UNK 0 -10.465 -3.087 -1.135 0.00 0.00 H+0 HETATM 206 H UNK 0 5.705 5.222 -3.014 0.00 0.00 H+0 HETATM 207 H UNK 0 4.490 1.888 -3.288 0.00 0.00 H+0 HETATM 208 H UNK 0 6.148 1.200 -3.540 0.00 0.00 H+0 HETATM 209 H UNK 0 5.611 2.533 -4.605 0.00 0.00 H+0 HETATM 210 H UNK 0 8.049 4.171 -2.654 0.00 0.00 H+0 HETATM 211 H UNK 0 7.970 2.541 -3.547 0.00 0.00 H+0 HETATM 212 H UNK 0 7.222 4.040 -4.240 0.00 0.00 H+0 HETATM 213 H UNK 0 8.454 2.513 -1.601 0.00 0.00 H+0 HETATM 214 H UNK 0 9.193 1.508 0.362 0.00 0.00 H+0 HETATM 215 H UNK 0 7.505 1.704 1.039 0.00 0.00 H+0 HETATM 216 H UNK 0 8.719 -0.581 1.903 0.00 0.00 H+0 HETATM 217 H UNK 0 8.891 -4.089 2.111 0.00 0.00 H+0 HETATM 218 H UNK 0 9.578 -2.426 2.527 0.00 0.00 H+0 HETATM 219 H UNK 0 7.944 -2.852 3.122 0.00 0.00 H+0 HETATM 220 H UNK 0 9.170 -2.147 -0.814 0.00 0.00 H+0 HETATM 221 H UNK 0 8.393 -3.736 -0.622 0.00 0.00 H+0 HETATM 222 H UNK 0 9.864 -3.438 0.303 0.00 0.00 H+0 HETATM 223 H UNK 0 7.465 -4.931 0.730 0.00 0.00 H+0 HETATM 224 H UNK 0 5.511 -6.886 -0.720 0.00 0.00 H+0 HETATM 225 H UNK 0 6.895 -6.670 0.366 0.00 0.00 H+0 HETATM 226 H UNK 0 5.311 -7.340 1.000 0.00 0.00 H+0 HETATM 227 H UNK 0 5.005 -3.777 -0.986 0.00 0.00 H+0 HETATM 228 H UNK 0 3.514 -4.549 -0.238 0.00 0.00 H+0 HETATM 229 H UNK 0 4.616 -5.460 -1.426 0.00 0.00 H+0 HETATM 230 H UNK 0 3.317 -6.872 -0.036 0.00 0.00 H+0 HETATM 231 H UNK 0 1.729 -6.322 0.580 0.00 0.00 H+0 HETATM 232 H UNK 0 3.206 -8.786 1.422 0.00 0.00 H+0 HETATM 233 H UNK 0 1.413 -8.425 1.383 0.00 0.00 H+0 HETATM 234 H UNK 0 1.619 -8.052 3.653 0.00 0.00 H+0 HETATM 235 H UNK 0 3.408 -7.928 3.539 0.00 0.00 H+0 HETATM 236 H UNK 0 1.392 -5.878 2.450 0.00 0.00 H+0 HETATM 237 H UNK 0 2.972 -3.470 3.876 0.00 0.00 H+0 HETATM 238 H UNK 0 2.430 -4.566 6.665 0.00 0.00 H+0 HETATM 239 H UNK 0 1.192 -2.308 8.100 0.00 0.00 H+0 HETATM 240 H UNK 0 1.330 -0.141 5.875 0.00 0.00 H+0 HETATM 241 H UNK 0 0.042 0.913 6.538 0.00 0.00 H+0 HETATM 242 H UNK 0 -0.311 -0.084 5.034 0.00 0.00 H+0 HETATM 243 H UNK 0 -1.484 -1.340 8.655 0.00 0.00 H+0 HETATM 244 H UNK 0 0.083 -0.514 8.940 0.00 0.00 H+0 HETATM 245 H UNK 0 -1.190 0.355 8.076 0.00 0.00 H+0 HETATM 246 H UNK 0 -2.395 -0.379 5.578 0.00 0.00 H+0 HETATM 247 H UNK 0 -4.368 -1.218 3.091 0.00 0.00 H+0 HETATM 248 H UNK 0 -3.995 -0.093 4.445 0.00 0.00 H+0 HETATM 249 H UNK 0 -5.320 -1.287 4.576 0.00 0.00 H+0 HETATM 250 H UNK 0 -3.356 -3.290 6.551 0.00 0.00 H+0 HETATM 251 H UNK 0 -4.771 -2.212 6.369 0.00 0.00 H+0 HETATM 252 H UNK 0 -4.631 -3.771 5.387 0.00 0.00 H+0 HETATM 253 H UNK 0 -4.638 -3.635 2.957 0.00 0.00 H+0 HETATM 254 H UNK 0 -2.021 -4.963 2.308 0.00 0.00 H+0 HETATM 255 H UNK 0 -4.880 -5.565 1.250 0.00 0.00 H+0 HETATM 256 H UNK 0 -3.432 -6.565 0.919 0.00 0.00 H+0 HETATM 257 H UNK 0 -4.562 -6.105 3.752 0.00 0.00 H+0 HETATM 258 H UNK 0 -3.213 -7.171 3.279 0.00 0.00 H+0 HETATM 259 H UNK 0 -6.368 -8.625 4.053 0.00 0.00 H+0 HETATM 260 H UNK 0 -1.952 -5.680 -0.367 0.00 0.00 H+0 HETATM 261 H UNK 0 -2.482 -3.072 -1.753 0.00 0.00 H+0 HETATM 262 H UNK 0 -1.748 -5.700 -3.183 0.00 0.00 H+0 HETATM 263 H UNK 0 -2.236 -4.147 -3.854 0.00 0.00 H+0 HETATM 264 H UNK 0 -4.157 -5.761 -2.103 0.00 0.00 H+0 HETATM 265 H UNK 0 -4.037 -5.886 -3.880 0.00 0.00 H+0 HETATM 266 H UNK 0 -6.712 -4.959 -3.445 0.00 0.00 H+0 HETATM 267 H UNK 0 -6.740 -3.369 -2.664 0.00 0.00 H+0 HETATM 268 H UNK 0 -0.611 -2.930 -3.863 0.00 0.00 H+0 HETATM 269 H UNK 0 1.841 -2.789 -2.196 0.00 0.00 H+0 HETATM 270 H UNK 0 2.284 -0.800 -3.793 0.00 0.00 H+0 HETATM 271 H UNK 0 0.650 -0.694 -3.168 0.00 0.00 H+0 HETATM 272 H UNK 0 1.137 -0.728 -5.683 0.00 0.00 H+0 HETATM 273 H UNK 0 1.599 -3.761 -5.102 0.00 0.00 H+0 HETATM 274 H UNK 0 2.022 -4.740 -3.702 0.00 0.00 H+0 HETATM 275 H UNK 0 4.059 -3.490 -3.323 0.00 0.00 H+0 HETATM 276 H UNK 0 3.305 -1.741 -5.700 0.00 0.00 H+0 HETATM 277 H UNK 0 4.899 -2.463 -5.636 0.00 0.00 H+0 HETATM 278 H UNK 0 4.471 -1.455 -4.274 0.00 0.00 H+0 HETATM 279 H UNK 0 5.194 -4.828 -4.771 0.00 0.00 H+0 HETATM 280 H UNK 0 4.241 -4.424 -6.205 0.00 0.00 H+0 HETATM 281 H UNK 0 3.469 -5.476 -5.000 0.00 0.00 H+0 HETATM 282 H UNK 0 4.158 -2.135 5.868 0.00 0.00 H+0 HETATM 283 H UNK 0 4.763 -4.921 5.709 0.00 0.00 H+0 HETATM 284 H UNK 0 5.531 -4.263 7.254 0.00 0.00 H+0 HETATM 285 H UNK 0 5.864 -3.537 5.612 0.00 0.00 H+0 HETATM 286 H UNK 0 4.966 -2.604 8.232 0.00 0.00 H+0 HETATM 287 H UNK 0 3.479 -1.641 8.040 0.00 0.00 H+0 HETATM 288 H UNK 0 3.414 -3.431 8.521 0.00 0.00 H+0 CONECT 1 2 137 138 139 CONECT 2 1 3 140 141 CONECT 3 2 4 5 142 CONECT 4 3 143 144 145 CONECT 5 3 6 61 146 CONECT 6 5 7 147 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 11 12 CONECT 10 9 148 149 150 CONECT 11 9 151 152 153 CONECT 12 9 13 154 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 21 155 CONECT 16 15 17 156 157 CONECT 17 16 18 158 159 CONECT 18 17 19 20 CONECT 19 18 160 161 CONECT 20 18 CONECT 21 15 22 162 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 26 27 CONECT 25 24 163 164 165 CONECT 26 24 166 167 168 CONECT 27 24 28 169 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 32 33 CONECT 31 30 170 171 172 CONECT 32 30 173 174 175 CONECT 33 30 34 176 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 38 177 CONECT 37 36 178 179 180 CONECT 38 36 39 181 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 43 44 CONECT 42 41 182 183 184 CONECT 43 41 185 186 187 CONECT 44 41 45 188 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 51 189 CONECT 48 47 49 190 191 CONECT 49 48 50 192 193 CONECT 50 49 51 194 195 CONECT 51 50 52 47 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 56 57 CONECT 55 54 196 197 198 CONECT 56 54 199 200 201 CONECT 57 54 58 202 CONECT 58 57 59 60 CONECT 59 58 203 204 205 CONECT 60 58 CONECT 61 5 62 63 CONECT 62 61 CONECT 63 61 64 206 CONECT 64 63 65 66 67 CONECT 65 64 207 208 209 CONECT 66 64 210 211 212 CONECT 67 64 68 69 CONECT 68 67 CONECT 69 67 70 213 CONECT 70 69 71 214 215 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 74 216 CONECT 74 73 75 76 77 CONECT 75 74 217 218 219 CONECT 76 74 220 221 222 CONECT 77 74 78 79 CONECT 78 77 CONECT 79 77 80 223 CONECT 80 79 81 82 83 CONECT 81 80 224 225 226 CONECT 82 80 227 228 229 CONECT 83 80 84 85 CONECT 84 83 CONECT 85 83 86 89 CONECT 86 85 87 230 231 CONECT 87 86 88 232 233 CONECT 88 87 89 234 235 CONECT 89 88 90 85 236 CONECT 90 89 91 92 CONECT 91 90 CONECT 92 90 93 237 CONECT 93 92 94 134 238 CONECT 94 93 95 96 CONECT 95 94 CONECT 96 94 97 239 CONECT 97 96 98 99 100 CONECT 98 97 240 241 242 CONECT 99 97 243 244 245 CONECT 100 97 101 102 CONECT 101 100 CONECT 102 100 103 246 CONECT 103 102 104 105 106 CONECT 104 103 247 248 249 CONECT 105 103 250 251 252 CONECT 106 103 107 108 CONECT 107 106 CONECT 108 106 109 253 CONECT 109 108 110 115 254 CONECT 110 109 111 255 256 CONECT 111 110 112 257 258 CONECT 112 111 113 114 CONECT 113 112 CONECT 114 112 259 CONECT 115 109 116 117 CONECT 116 115 CONECT 117 115 118 260 CONECT 118 117 119 124 261 CONECT 119 118 120 262 263 CONECT 120 119 121 264 265 CONECT 121 120 122 123 CONECT 122 121 266 267 CONECT 123 121 CONECT 124 118 125 126 CONECT 125 124 CONECT 126 124 127 268 CONECT 127 126 128 130 269 CONECT 128 127 129 270 271 CONECT 129 128 272 CONECT 130 127 131 273 274 CONECT 131 130 132 133 275 CONECT 132 131 276 277 278 CONECT 133 131 279 280 281 CONECT 134 93 135 136 282 CONECT 135 134 283 284 285 CONECT 136 134 286 287 288 CONECT 137 1 CONECT 138 1 CONECT 139 1 CONECT 140 2 CONECT 141 2 CONECT 142 3 CONECT 143 4 CONECT 144 4 CONECT 145 4 CONECT 146 5 CONECT 147 6 CONECT 148 10 CONECT 149 10 CONECT 150 10 CONECT 151 11 CONECT 152 11 CONECT 153 11 CONECT 154 12 CONECT 155 15 CONECT 156 16 CONECT 157 16 CONECT 158 17 CONECT 159 17 CONECT 160 19 CONECT 161 19 CONECT 162 21 CONECT 163 25 CONECT 164 25 CONECT 165 25 CONECT 166 26 CONECT 167 26 CONECT 168 26 CONECT 169 27 CONECT 170 31 CONECT 171 31 CONECT 172 31 CONECT 173 32 CONECT 174 32 CONECT 175 32 CONECT 176 33 CONECT 177 36 CONECT 178 37 CONECT 179 37 CONECT 180 37 CONECT 181 38 CONECT 182 42 CONECT 183 42 CONECT 184 42 CONECT 185 43 CONECT 186 43 CONECT 187 43 CONECT 188 44 CONECT 189 47 CONECT 190 48 CONECT 191 48 CONECT 192 49 CONECT 193 49 CONECT 194 50 CONECT 195 50 CONECT 196 55 CONECT 197 55 CONECT 198 55 CONECT 199 56 CONECT 200 56 CONECT 201 56 CONECT 202 57 CONECT 203 59 CONECT 204 59 CONECT 205 59 CONECT 206 63 CONECT 207 65 CONECT 208 65 CONECT 209 65 CONECT 210 66 CONECT 211 66 CONECT 212 66 CONECT 213 69 CONECT 214 70 CONECT 215 70 CONECT 216 73 CONECT 217 75 CONECT 218 75 CONECT 219 75 CONECT 220 76 CONECT 221 76 CONECT 222 76 CONECT 223 79 CONECT 224 81 CONECT 225 81 CONECT 226 81 CONECT 227 82 CONECT 228 82 CONECT 229 82 CONECT 230 86 CONECT 231 86 CONECT 232 87 CONECT 233 87 CONECT 234 88 CONECT 235 88 CONECT 236 89 CONECT 237 92 CONECT 238 93 CONECT 239 96 CONECT 240 98 CONECT 241 98 CONECT 242 98 CONECT 243 99 CONECT 244 99 CONECT 245 99 CONECT 246 102 CONECT 247 104 CONECT 248 104 CONECT 249 104 CONECT 250 105 CONECT 251 105 CONECT 252 105 CONECT 253 108 CONECT 254 109 CONECT 255 110 CONECT 256 110 CONECT 257 111 CONECT 258 111 CONECT 259 114 CONECT 260 117 CONECT 261 118 CONECT 262 119 CONECT 263 119 CONECT 264 120 CONECT 265 120 CONECT 266 122 CONECT 267 122 CONECT 268 126 CONECT 269 127 CONECT 270 128 CONECT 271 128 CONECT 272 129 CONECT 273 130 CONECT 274 130 CONECT 275 131 CONECT 276 132 CONECT 277 132 CONECT 278 132 CONECT 279 133 CONECT 280 133 CONECT 281 133 CONECT 282 134 CONECT 283 135 CONECT 284 135 CONECT 285 135 CONECT 286 136 CONECT 287 136 CONECT 288 136 MASTER 0 0 0 0 0 0 0 0 288 0 578 0 END SMILES for NP0022678 (Hypelcin B-IV)[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])([H])N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@]2([H])N(C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H] INCHI for NP0022678 (Hypelcin B-IV)InChI=1S/C89H152N22O25/c1-29-47(6)61(99-74(131)82(13,14)103-65(122)53(35-38-57(91)115)97-73(130)84(17,18)107-76(133)86(21,22)102-62(119)48(7)93-71(128)81(11,12)104-67(124)55-33-31-41-111(55)78(135)88(25,26)100-49(8)113)69(126)106-80(9,10)70(127)92-43-58(116)101-85(19,20)75(132)109-89(27,28)79(136)110-40-30-32-54(110)66(123)98-60(46(4)5)68(125)105-87(23,24)77(134)108-83(15,16)72(129)96-52(36-39-59(117)118)64(121)95-51(34-37-56(90)114)63(120)94-50(44-112)42-45(2)3/h45-48,50-55,60-61,112H,29-44H2,1-28H3,(H2,90,114)(H2,91,115)(H,92,127)(H,93,128)(H,94,120)(H,95,121)(H,96,129)(H,97,130)(H,98,123)(H,99,131)(H,100,113)(H,101,116)(H,102,119)(H,103,122)(H,104,124)(H,105,125)(H,106,126)(H,107,133)(H,108,134)(H,109,132)(H,117,118)/t47-,48-,50+,51-,52+,53-,54+,55-,60+,61+/m1/s1 3D Structure for NP0022678 (Hypelcin B-IV) | ||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C89H152N22O25 | ||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1930.3240 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1929.12990 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (4S)-4-{[(1R)-3-carbamoyl-1-{[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2S)-1-{2-[2-(2-{2-[(2S,3R)-2-{2-[(2R)-4-carbamoyl-2-(2-{2-[(2R)-2-(2-{[(2R)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)butanamido]-2-methylpropanamido}-3-methylpentanamido]-2-methylpropanamido}acetamido)-2-methylpropanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (4S)-4-{[(1R)-3-carbamoyl-1-{[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2S)-1-{2-[2-(2-{2-[(2S,3R)-2-{2-[(2R)-4-carbamoyl-2-(2-{2-[(2R)-2-(2-{[(2R)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)butanamido]-2-methylpropanamido}-3-methylpentanamido]-2-methylpropanamido}acetamido)-2-methylpropanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCC(C)C(NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C | ||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C89H152N22O25/c1-29-47(6)61(99-74(131)82(13,14)103-65(122)53(35-38-57(91)115)97-73(130)84(17,18)107-76(133)86(21,22)102-62(119)48(7)93-71(128)81(11,12)104-67(124)55-33-31-41-111(55)78(135)88(25,26)100-49(8)113)69(126)106-80(9,10)70(127)92-43-58(116)101-85(19,20)75(132)109-89(27,28)79(136)110-40-30-32-54(110)66(123)98-60(46(4)5)68(125)105-87(23,24)77(134)108-83(15,16)72(129)96-52(36-39-59(117)118)64(121)95-51(34-37-56(90)114)63(120)94-50(44-112)42-45(2)3/h45-48,50-55,60-61,112H,29-44H2,1-28H3,(H2,90,114)(H2,91,115)(H,92,127)(H,93,128)(H,94,120)(H,95,121)(H,96,129)(H,97,130)(H,98,123)(H,99,131)(H,100,113)(H,101,116)(H,102,119)(H,103,122)(H,104,124)(H,105,125)(H,106,126)(H,107,133)(H,108,134)(H,109,132)(H,117,118) | ||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | GWPGLZWAOJFLFK-UHFFFAOYSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
Species | |||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | ||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | |||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA011634 | ||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78444207 | ||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139586331 | ||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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