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CHEBI:18023 - sirohydrochlorin

ChEBI IDCHEBI:18023
ChEBI Namesirohydrochlorin
Stars
Secondary ChEBI IDsCHEBI:9167, CHEBI:15090, CHEBI:26691
Last Modified26 July 2019
DownloadsMolfile
FormulaC42H46N4O16
Net Charge0
Average Mass862.842
Monoisotopic Mass862.29088
SMILESC[C@@]1(CC(=O)O)c2cc3nc(cc4nc(cc5nc(cc(n2)[C@H]1CCC(=O)O)[C@@](C)(CC(=O)O)[C@@H]5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CCC(=O)O)c3CC(=O)O
InChIInChI=1S/C42H46N4O16/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/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b25-13-,29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1
InChIKeyKWIZRXMMFRBUML-AHGFGAHVSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Roles:
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).
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).
ChEBI Ontology
Outgoing Relation(s)
sirohydrochlorin (CHEBI:18023) has role Escherichia coli metabolite (CHEBI:76971)
sirohydrochlorin (CHEBI:18023) has role cofactor (CHEBI:23357)
sirohydrochlorin (CHEBI:18023) is a isobacteriochlorins (CHEBI:52582)
sirohydrochlorin (CHEBI:18023) is conjugate acid of sirohydrochlorin(8−) (CHEBI:58351)
Incoming Relation(s)
15,173-seco-F430-173-acid (CHEBI:137699) has functional parent sirohydrochlorin (CHEBI:18023)
cobalt-sirohydrochlorin (CHEBI:52491) has functional parent sirohydrochlorin (CHEBI:18023)
nickel-sirohydrochlorin (CHEBI:137678) has functional parent sirohydrochlorin (CHEBI:18023)
nickel-sirohydrochlorin a,c-diamide (CHEBI:137696) has functional parent sirohydrochlorin (CHEBI:18023)
sirohydrochlorin(8−) (CHEBI:58351) is conjugate base of sirohydrochlorin (CHEBI:18023)
IUPAC Name 
sirohydrochlorin
Synonyms  Source
SirohydrochlorinKEGG COMPOUND
(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrapropionic acidJCBN
Manual XrefsDatabases
C05778KEGG COMPOUND
C00007315KNApSAcK
Registry NumbersSources
CAS:65207-12-7KEGG COMPOUND
CAS:65207-12-7ChemIDplus