| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2024-09-11 23:23:38 UTC |
|---|
| Updated at | 2024-09-11 23:23:39 UTC |
|---|
| NP-MRD ID | NP0339755 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | precorrin-2 |
|---|
| Description | Precorrin-2 belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. precorrin-2 was first documented in 2017 (PMID: 28959863). Based on a literature review a small amount of articles have been published on precorrin-2 (PMID: 32054833) (PMID: 31605669) (PMID: 34061014) (PMID: 33240246). |
|---|
| Structure | CC1(CC([O-])=O)C(CCC([O-])=O)C2=CC3=C(CC([O-])=O)C(CCC([O-])=O)=C(CC4=C(CCC([O-])=O)C(CC([O-])=O)=C(N4)C=C4N=C(C=C1[N+]2)C(CCC([O-])=O)C4(C)CC([O-])=O)N3 InChI=1/C42H47N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/q+1/p-8 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C42H39N4O16 |
|---|
| Average Mass | 855.7900 Da |
|---|
| Monoisotopic Mass | 855.23995 Da |
|---|
| IUPAC Name | 5,9,15,20-tetrakis(2-carboxylatoethyl)-4,10,14,19-tetrakis(carboxylatomethyl)-14,19-dimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,8,10,12,16(22),17-octaen-21-ylium |
|---|
| Traditional Name | 5,9,15,20-tetrakis(2-carboxylatoethyl)-4,10,14,19-tetrakis(carboxylatomethyl)-14,19-dimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,8,10,12,16(22),17-octaen-21-ylium |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CC1(CC([O-])=O)C(CCC([O-])=O)C2=CC3=C(CC([O-])=O)C(CCC([O-])=O)=C(CC4=C(CCC([O-])=O)C(CC([O-])=O)=C(N4)C=C4N=C(C=C1[N+]2)C(CCC([O-])=O)C4(C)CC([O-])=O)N3 |
|---|
| InChI Identifier | InChI=1/C42H47N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/q+1/p-8 |
|---|
| InChI Key | IINDTRQEKALDBW-UHFFFAOYNA-F |
|---|
| Experimental Spectra |
|---|
|
| Not Available | | Predicted Spectra |
|---|
|
| Not Available | | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | Not Available |
|---|
| Chemical Taxonomy |
|---|
| Description | This compound belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Tetrapyrroles and derivatives |
|---|
| Sub Class | Not Available |
|---|
| Direct Parent | Tetrapyrroles and derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - Tetrapyrrole skeleton
- Substituted pyrrole
- Pyrrole
- Pyrrolidine
- Pyrroline
- Heteroaromatic compound
- Carboxylic acid salt
- Ketimine
- Azacycle
- Carbene-type 1,3-dipolar compound
- Carboxylic acid
- Carboxylic acid derivative
- Organopnictogen compound
- Organic oxide
- Organic nitrogen compound
- Carbonyl group
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Imine
- Organic salt
- Hydrocarbon derivative
- Organic anion
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| General References | - Pennington JM, Kemp M, McGarry L, Chen Y, Stroupe ME: Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site. Nat Commun. 2020 Feb 13;11(1):864. doi: 10.1038/s41467-020-14722-1. [PubMed:32054833 ]
- Videira MAM, Lobo SAL, Sousa FL, Saraiva LM: Identification of the sirohaem biosynthesis pathway in Staphylococcus aureus. FEBS J. 2020 Apr;287(8):1537-1553. doi: 10.1111/febs.15091. Epub 2019 Oct 27. [PubMed:31605669 ]
- Kang J, Fang H, Dong H, Song W, Zhang D: [Purification and characterization of S-adenosyl-L-methionine:uroporphyrinogen methyltransferase from Rhodobacter capsulatus SB1003]. Sheng Wu Gong Cheng Xue Bao. 2017 Jan 25;33(1):55-67. doi: 10.13345/j.cjb.160255. [PubMed:28959863 ]
- Li KT, Yang Y, Cheng X: Revealing the Promoting Effect of Betaine on Vitamin B(12) Biosynthetic Pathway of Pseudomonas denitrificans by Using a Proteomics Analysis. Curr Pharm Biotechnol. 2022;23(3):466-475. doi: 10.2174/1389201022666210531120935. [PubMed:34061014 ]
- Barbance A, Della-Negra O, Chaussonnerie S, Delmas V, Muselet D, Ugarte E, Saaidi PL, Weissenbach J, Fischer C, Le Paslier D, Fonknechten N: Genetic Analysis of Citrobacter sp.86 Reveals Involvement of Corrinoids in Chlordecone and Lindane Biotransformations. Front Microbiol. 2020 Nov 9;11:590061. doi: 10.3389/fmicb.2020.590061. eCollection 2020. [PubMed:33240246 ]
|
|---|