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CHEBI:45909 - TRANS DELTA2 PALMITENOYL-COENZYMEA

Default Structure
ChEBI IDCHEBI:45909
ChEBI NameTRANS DELTA2 PALMITENOYL-COENZYMEA
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC37H64N7O17P3S
Net Charge0
Average Mass1003.940
Monoisotopic Mass1003.32922
SMILES[H]O[C@]1([H])[C@@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)/C([H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]1([H])n1c([H])nc2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b17-16+/t26-,30-,31+,32+,36+/m1/s1
InChIKeyJUPAQFRKPHPXLD-OHKONPMHSA-N
ChEBI Ontology
Outgoing Relation(s)
TRANS DELTA2 PALMITENOYL-COENZYMEA (CHEBI:45909) is a unclassifieds (CHEBI:27189)
Synonyms  Source
S-{17-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-hexadec-2-enethioate (non-preferred name)PDBeChem
TRANS DELTA2 PALMITENOYL-COENZYMEAPDBeChem
Manual XrefsDatabases
TH3PDBeChem