CHEBI:62809 - trans-heme d hydroxychlorin γ-spirolactone(1−)

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ChEBI Name trans-heme d hydroxychlorin γ-spirolactone(1−)
ChEBI ID CHEBI:62809
ChEBI ASCII Name trans-heme d hydroxychlorin gamma-spirolactone(1-)
Definition A monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of trans-heme d hydroxychlorin γ-spirolactone.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C34H31FeN4O5
Net Charge -1
Average Mass 631.47900
Monoisotopic Mass 631.16493
InChI InChI=1S/C34H33N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,42H,1-2,9-12H2,3-6H3,(H2-,35,36,37,38,39,40);/q-1;+2/p-2/t33-,34-;/m0./s1
InChIKey HMYRFFHHXXPRDI-GFLYYBHISA-L
SMILES Cc1c(C=C)c2C=C3[N+]4=C(C=c5c(CCC([O-])=O)c(C)c6=CC7=[N+]8C(=Cc1n2[Fe--]48n56)C(C=C)=C7C)[C@@]1(CCC(=O)O1)[C@@]3(C)O
ChEBI Ontology
Outgoing trans-heme d hydroxychlorin γ-spirolactone(1−) (CHEBI:62809) is a monocarboxylic acid anion (CHEBI:35757)
trans-heme d hydroxychlorin γ-spirolactone(1−) (CHEBI:62809) is conjugate base of trans-heme d hydroxychlorin γ-spirolactone (CHEBI:62808)
Incoming trans-heme d hydroxychlorin γ-spirolactone (CHEBI:62808) is conjugate acid of trans-heme d hydroxychlorin γ-spirolactone(1−) (CHEBI:62809)
Synonym Source
{3-[(2SR,5'SR)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-κ4N21',N22',N23',N24']propanoato(3−)}ferrate(1−) ChEBI
Citation Type Source
8621527 PubMed citation Europe PMC
Last Modified
25 August 2011