EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189278 - (132S, 17S, 18S)-132-hydroxy-20-chloro-ethylpheophorbide a

ChEBI IDCHEBI:189278
ChEBI Name(132S, 17S, 18S)-132-hydroxy-20-chloro-ethylpheophorbide a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H40N4O6
Net Charge0
Average Mass636.749
Monoisotopic Mass636.29479
SMILESC=CC1=C(C)C2=N/C1=C\C1=N/C(=C\C3=C(C)C4=C(O)[C@](O)(C(=O)OC)/C(=C5/N/C(=C\2)[C@@H](C)[C@@H]5CCC(=O)OCC)C4=N3)C(CC)=C1C
InChIInChI=1S/C37H40N4O6/c1-9-21-17(4)24-14-26-19(6)23(12-13-30(42)47-11-3)33(40-26)32-34-31(35(43)37(32,45)36(44)46-8)20(7)27(41-34)16-29-22(10-2)18(5)25(39-29)15-28(21)38-24/h9,14-16,19,23,40,43,45H,1,10-13H2,2-8H3/b26-14-,28-15-,29-16-,33-32+/t19-,23-,37-/m0/s1
InChIKeyWYMUMUWSXFAWNX-AKJUUNLUSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Usnea diffracta (ncbitaxon:142672) - PubMed (29092623)
ChEBI Ontology
Outgoing Relation(s)
(132S, 17S, 18S)-132-hydroxy-20-chloro-ethylpheophorbide a (CHEBI:189278) is a tetrapyrrole (CHEBI:26932)
IUPAC Name 
methyl (3S,21S,22S)-16-ethenyl-22-(3-ethoxy-3-oxopropyl)-11-ethyl-3,4-dihydroxy-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-undecaene-3-carboxylate