CHEBI:18023 - sirohydrochlorin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sirohydrochlorin
ChEBI ID CHEBI:18023
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26691, CHEBI:9167, CHEBI:15090
Supplier Information
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Formulae C42H46N4O16
C42H46N4O16
Net Charge 0
Average Mass 862.83180
Monoisotopic Mass 862.29088
InChI InChI=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
InChIKey KWIZRXMMFRBUML-AHGFGAHVSA-N
SMILES C[C@]1(CC(O)=O)[C@H](CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC(O)=O)c5CCC(O)=O)c(CCC(O)=O)c4CC(O)=O)[C@@H](CCC(O)=O)[C@]3(C)CC(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 porphyrins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrapropionic acid JCBN
Sirohydrochlorin KEGG COMPOUND
Manual Xrefs Databases
C00007315 KNApSAcK
C05778 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
65207-12-7 CAS Registry Number KEGG COMPOUND
65207-12-7 CAS Registry Number ChemIDplus
Last Modified
26 July 2019