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CHEBI:207993 - 132-hydroxy-(132-S)-phaeophytin A

ChEBI IDCHEBI:207993
ChEBI Name132-hydroxy-(132-S)-phaeophytin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H74N4O6
Net Charge0
Average Mass887.219
Monoisotopic Mass886.56084
SMILESC=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@](O)(C(=O)OC)C(=C5NC(=C2)[C@@H](C)[C@@H]5CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C
InChIInChI=1S/C55H74N4O6/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,58,61,63H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,51-50?/t32-,33-,37+,41+,55+/m1/s1
InChIKeyANULOQJFHWWWDL-CHTHIODSSA-N
Species of MetaboliteComponentSourceComments
Nodosilineaspecies LEGE 06001 (ncbitaxon:1828617) - PubMed (30999602)
ChEBI Ontology
Outgoing Relation(s)
132-hydroxy-(132-S)-phaeophytin A (CHEBI:207993) is a tetrapyrrole (CHEBI:26932)
IUPAC Name 
methyl (3S,21S,22S)-16-ethenyl-11-ethyl-3,4-dihydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-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