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CHEBI:191969 - Pyropheophytin b

ChEBI IDCHEBI:191969
ChEBI NamePyropheophytin b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H70N4O4
Net Charge0
Average Mass827.167
Monoisotopic Mass826.53971
SMILESC=CC1=C(C)C2=N/C1=C\C1=NC(=C(CC)C1=CO)/C=C1\N=C3C(=C1C)C(=O)C/C3=C1/N/C(=C\2)C(C)C1CCC(=O)OC/C=C(\C)CC(C)CC(C)CCCC(C)CCCCC
InChIInChI=1S/C53H70N4O4/c1-11-14-15-17-31(4)18-16-19-32(5)24-34(7)25-33(6)22-23-61-50(60)21-20-40-36(9)44-27-43-35(8)38(12-2)46(54-43)29-48-42(30-58)39(13-3)47(55-48)28-45-37(10)51-49(59)26-41(52(40)56-44)53(51)57-45/h12,22,27-32,34,36,40,56,58H,2,11,13-21,23-26H2,1,3-10H3/b33-22+,42-30?,44-27-,45-28-,46-29-,52-41-
InChIKeyJUBGNAUIWFTZBD-ZRXAKFDBSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Pyropheophytin b (CHEBI:191969) is a tetrapyrrole (CHEBI:26932)
IUPAC Name 
[(E)-3,5,7,11-tetramethylhexadec-2-enyl] 3-[16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaen-22-yl]propanoate