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Acetyldithio-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM162744Image of MNXM162744
#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
formulaC23H38N7O16P3S2
charge0
mass825.10293
referencesabiorkM:20954
InChIKeyILDXFYGFXOQPHK-ZSJPKINUSA-N
InChIInChI=1S/C23H38N7O16P3S2/c1-12(50)51-7-6-25-14(31)4-5-26-21(34)18(33)23(2,3)9-43-49(40,41)46-48(38,39)42-8-13-17(45-47(35,36)37)16(32)22(44-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,32-33H,4-9H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22-/m1/s1
SMILESCC(=S)SCCN=C(O)CCN=C(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]1OP(=O)(O)O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
sabiork.compound:20954
sabiorkM:20954 		Acetyldithio-CoA
(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda5,5lambda5-diphosphaheptadecan-17-yl ethane(dithioate)