OntologieschebiclassesCHEBI:50602   
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precorrin-2
http://purl.obolibrary.org/obo/CHEBI_50602

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.

Also appears inslmgo
Exact Synonyms
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
Related Synonyms
15,23-Dihydrosirohydrochlorin
Dihydrosirohydrochlorin
Precorrin 2
class Information
charge

0

formula

C42H48N4O16

has_alternative_id
has_dbxref
has_obo_namespace

chebi_ontology

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

in_subset

3_STAR

mass

864.84770

monoisotopicmass

864.30653

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

class Relations