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CHEBI:41087 - BACTERIOPHEOPHYTIN1

Default Structure
ChEBI IDCHEBI:41087
ChEBI NameBACTERIOPHEOPHYTIN1
Stars
Last Modified15 October 2010
DownloadsMolfile
FormulaC55H78N4O6
Net Charge0
Average Mass891.251
Monoisotopic Mass890.59214
SMILES[H]C1=C2N([H])C(=C([H])c3c(C([H])([H])[H])c4c(n3[H])C(=C3N([H])C(=C([H])c5c(C([H])([H])[H])c(C(=O)C([H])([H])[H])c1n5[H])[C@@]([H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])/C([H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C(=O)OC([H])([H])[H])C4=O)[C@]([H])(C([H])([H])C([H])([H])[H])[C@@]2([H])C([H])([H])[H]
InChIInChI=1S/C55H78N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,56-59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,45-28-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1
InChIKeyDHJJQDBRYIGLJP-URFYWZFGSA-N
ChEBI Ontology
Outgoing Relation(s)
BACTERIOPHEOPHYTIN1 (CHEBI:41087) is a unclassifieds (CHEBI:27189)
Synonyms  Source
BACTERIOPHEOPHYTINPDBeChem
methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14,24,26-tetrahydrophorbine-21-carboxylatePDBeChem
Manual XrefsDatabases
BH1PDBeChem