CHEBI:172733 - Pyrophaeophorbide a

ChEBI IDCHEBI:172733
ChEBI NamePyrophaeophorbide a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H34N4O3
Net Charge0
Average Mass534.660
Monoisotopic Mass534.26309
SMILESC=CC1=C(C)C2=N/C1=C\C1=N/C(=C\C3=C(C)C4=C(O)C/C(=C5/N/C(=C\2)C(C)C5CCC(=O)O)C4=N3)C(CC)=C1C
InChIInChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,36,38H,1,8-11H2,2-6H3,(H,39,40)/b25-12-,27-13-,28-14-,32-22-
InChIKeyFDKRLXBXYZKWRZ-FMQYCSLOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Pyrophaeophorbide a (CHEBI:172733) is a tetrapyrrole (CHEBI:26932)
IUPAC Name 
3-(16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)propanoic acid