CHEBI:132253 - 12,18-didecarboxysirohaem

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ChEBI Name 12,18-didecarboxysirohaem
ChEBI ID CHEBI:132253
Definition A heme that consists of sirohaem lacking the two carboxy groups at positions 12 and 18.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gemma Holliday
Supplier Information
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Formula C40H44FeN4O12
Net Charge 0
Average Mass 828.644
Monoisotopic Mass 828.23051
InChI InChI=1S/C40H46N4O12.Fe/c1-19-21(5-9-33(45)46)27-14-28-22(6-10-34(47)48)20(2)26(42-28)15-31-40(4,18-38(55)56)24(8-12-36(51)52)30(44-31)16-32-39(3,17-37(53)54)23(7-11-35(49)50)29(43-32)13-25(19)41-27;/h13-16,23-24H,5-12,17-18H2,1-4H3,(H8,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56);/q;+2/p-2/t23-,24-,39+,40+;/m1./s1
InChIKey JJIIPBCQUZPJAW-MQNDWNIASA-L
SMILES C=12[N+]3=C(C=C4N5C(=CC6=[N+]7C(=CC=8N(C(C1)=C(C8CCC(O)=O)C)[Fe-2]537)C(=C6C)CCC(=O)O)[C@H]([C@@]4(CC(=O)O)C)CCC(O)=O)[C@H]([C@@]2(CC(O)=O)C)CCC(O)=O
Metabolite of Species Details
Methanosarcina barkeri (NCBI:txid2208) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via heme )
prosthetic group
A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
(via heme )
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 12,18-didecarboxysirohaem (CHEBI:132253) has role bacterial metabolite (CHEBI:76969)
12,18-didecarboxysirohaem (CHEBI:132253) is a heme (CHEBI:30413)
12,18-didecarboxysirohaem (CHEBI:132253) is conjugate acid of 12,18-didecarboxysiroheme(6−) (CHEBI:140497)
Incoming 12,18-didecarboxysiroheme(6−) (CHEBI:140497) is conjugate base of 12,18-didecarboxysirohaem (CHEBI:132253)
IUPAC Name
{3,3',3'',3'''-[(7S,8S,12S,13S)-8,13-bis(carboxymethyl)-3,8,13,17-tetramethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetra(propanoato)(2−)}iron
Manual Xref Database
CPD-17068 MetaCyc
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Citation Waiting for Citations Type Source
24669201 PubMed citation SUBMITTER
Last Modified
18 October 2016