CHEBI:50602 - precorrin-2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name precorrin-2
ChEBI ID CHEBI:50602
Definition The second intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III, in which methyl groups have been introduced at positions 2 and 7 of the tetrapyrrole framework.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8370, CHEBI:14870
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C42H48N4O16
Net Charge 0
Average Mass 864.84770
Monoisotopic Mass 864.30653
InChI InChI=1S/C42H48N4O16/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/h14-16,23-24,43-45H,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)/b29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1
InChIKey OQIIYZQTTMKFAU-ZNLOQLQNSA-N
SMILES C[C@]1(CC(O)=O)[C@H](CCC(O)=O)\C2=C\c3[nH]c(Cc4[nH]c(\C=C5/N=C(/C=C1\N2)[C@@H](CCC(O)=O)[C@]5(C)CC(O)=O)c(CC(O)=O)c4CCC(O)=O)c(CCC(O)=O)c3CC(O)=O
Metabolite of Species Details
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via corrinoid )
(via porphyrins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing precorrin-2 (CHEBI:50602) has role Escherichia coli metabolite (CHEBI:76971)
precorrin-2 (CHEBI:50602) is a isobacteriochlorins (CHEBI:52582)
precorrin-2 (CHEBI:50602) is a precorrin (CHEBI:26228)
precorrin-2 (CHEBI:50602) is conjugate acid of precorrin-2(7−) (CHEBI:58827)
Incoming cobalt-precorrin-2 (CHEBI:3790) has functional parent precorrin-2 (CHEBI:50602)
precorrin-2(7−) (CHEBI:58827) is conjugate base of precorrin-2 (CHEBI:50602)
IUPAC Name
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
Synonyms Sources
15,23-Dihydrosirohydrochlorin ChemIDplus
Dihydrosirohydrochlorin KEGG COMPOUND
Precorrin 2 KEGG COMPOUND
Manual Xrefs Databases
C00007375 KNApSAcK
C02463 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
82542-92-5 CAS Registry Number KEGG COMPOUND
82542-92-5 CAS Registry Number ChemIDplus
Last Modified
25 January 2016