EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221538 - CIML B

ChEBI IDCHEBI:221538
ChEBI NameCIML B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H51NO6P
Net Charge+1
Average Mass516.680
Monoisotopic Mass516.34485
SMILESC[C@@H]1CCCCCCCCCCCCC/C=C/[C@@H](OP(=O)(O)OCC[N+](C)(C)C)C=CC=C(O)O1
InChIInChI=1S/C27H50NO6P/c1-25-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20-26(21-18-22-27(29)33-25)34-35(30,31)32-24-23-28(2,3)4/h17-18,20-22,25-26H,5-16,19,23-24H2,1-4H3,(H-,29,30,31)/p+1/b20-17+,21-18?,27-22?/t25-,26-/m1/s1
InChIKeyIMFOMVGOVFROEM-RZSYEONHSA-O
Species of MetaboliteComponentSourceComments
Colletotrichum incanum (ncbitaxon:1573173) - PubMed (32663020)
ChEBI Ontology
Outgoing Relation(s)
CIML B (CHEBI:221538) is a phosphocholines (CHEBI:36700)