EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58827 - precorrin-2(7−)

ChEBI IDCHEBI:58827
ChEBI Nameprecorrin-2(7−)
Stars
ASCII Nameprecorrin-2(7-)
DefinitionHeptaanionic form of precorrin-2.
Last Modified21 January 2016
DownloadsMolfile
FormulaC42H41N4O16
Net Charge-7
Average Mass857.802
Monoisotopic Mass857.25560
SMILESC[C@@]1(CC(=O)[O-])/C2=C/c3nc(c(CCC(=O)[O-])c3CC(=O)[O-])Cc3nc(c(CC(=O)[O-])c3CCC(=O)[O-])/C=C3\[NH2+]/C(=C\C(=N2)[C@H]1CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-]
InChIInChI=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)/p-7/b29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1
InChIKeyOQIIYZQTTMKFAU-ZNLOQLQNSA-G
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
precorrin-2(7−) (CHEBI:58827) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
precorrin-2(7−) (CHEBI:58827) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-2(7−) (CHEBI:58827) is conjugate base of precorrin-2 (CHEBI:50602)
Incoming Relation(s)
precorrin-2 (CHEBI:50602) is conjugate acid of precorrin-2(7−) (CHEBI:58827)
IUPAC Name 
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate
Synonym  Source
precorrin-2 heptaanionChEBI
UniProt Name  Source
precorrin-2UniProt