EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:233219 - 3'-dephospho-acetyl-coenzyme A

ChEBI IDCHEBI:233219
ChEBI Name3'-dephospho-acetyl-coenzyme A
Stars
Submittermwilliams
DownloadsMolfile
FormulaC23H37N7O14P2S
Net Charge0
Average Mass729.599
Monoisotopic Mass729.15944
SMILESCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C23H37N7O14P2S/c1-12(31)47-7-6-25-14(32)4-5-26-21(36)18(35)23(2,3)9-42-46(39,40)44-45(37,38)41-8-13-16(33)17(34)22(43-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-35H,4-9H2,1-3H3,(H,25,32)(H,26,36)(H,37,38)(H,39,40)(H2,24,27,28)/t13-,16-,17-,18+,22-/m1/s1
InChIKeyXEFUABMMGJVHSD-ZSJPKINUSA-N
ChEBI Ontology
Outgoing Relation(s)
3'-dephospho-acetyl-coenzyme A (CHEBI:233219) is a adenosine 5'-phosphate (CHEBI:37096)