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CHEBI:233723 - 16-carboxyphytanoyl-coenzyme A

Default Structure
ChEBI IDCHEBI:233723
ChEBI Name16-carboxyphytanoyl-coenzyme A
Stars
SubmitterJoanne
DownloadsMolfile
FormulaC41H67N7O19P3S
Net Charge-5
Average Mass1087.006
Monoisotopic Mass1086.34527
SMILESCC(CCCC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])CCCC(C)CC(=O)[O-]
InChIInChI=1S/C41H72N7O19P3S/c1-25(12-8-14-27(3)20-31(50)51)10-7-11-26(2)13-9-15-28(4)40(55)71-19-18-43-30(49)16-17-44-38(54)35(53)41(5,6)22-64-70(61,62)67-69(59,60)63-21-29-34(66-68(56,57)58)33(52)39(65-29)48-24-47-32-36(42)45-23-46-37(32)48/h23-29,33-35,39,52-53H,7-22H2,1-6H3,(H,43,49)(H,44,54)(H,50,51)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-5/t25?,26?,27?,28?,29-,33-,34-,35?,39-/m1/s1
InChIKeyPEEUYWVMJCKOMD-UOCIUXRFSA-I
ChEBI Ontology
Outgoing Relation(s)
16-carboxyphytanoyl-coenzyme A (CHEBI:233723) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
16-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-3,7,11,15-tetramethyl-16-oxohexadecanoic acid
Citations