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CHEBI:62802 - cis-heme d hydroxychlorin γ-spirolactone(1−)

ChEBI IDCHEBI:62802
ChEBI Namecis-heme d hydroxychlorin γ-spirolactone(1−)
Stars
ASCII Namecis-heme d hydroxychlorin gamma-spirolactone(1-)
DefinitionA monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of cis-heme d hydroxychlorin γ-spirolactone.
Last Modified25 August 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H31FeN4O5
Net Charge-1
Average Mass631.490
Monoisotopic Mass631.16493
SMILESC=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4[n]1[Fe-2]31[n]3c(c(C)c(CCC(=O)[O-])c3=CC3=[N+]1C(=C4)[C@](C)(O)[C@@]31CCC(=O)O1)=C2
InChIInChI=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
InChIKeyHMYRFFHHXXPRDI-XCVPDAMTSA-L
ChEBI Ontology
Outgoing Relation(s)
cis-heme d hydroxychlorin γ-spirolactone(1−) (CHEBI:62802) is a monocarboxylic acid anion (CHEBI:35757)
cis-heme d hydroxychlorin γ-spirolactone(1−) (CHEBI:62802) is conjugate base of cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459)
Incoming Relation(s)
cis-heme d hydroxychlorin γ-spirolactone (CHEBI:47459) is conjugate acid of cis-heme d hydroxychlorin γ-spirolactone(1−) (CHEBI:62802)
IUPAC Name 
{3-[(2RS,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−)
Citations