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trans-3-Hexenoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1105964Image of MNXM1105964
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC27H44N7O17P3S
charge0
mass863.17272
referencesabiorkM:21213
InChIKeySKDDJNFRAZIJIG-PFNGVMQSSA-N
InChIInChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b6-5+/t16-,20-,21-,22?,26-/m1/s1
SMILESCC/C=C/CC(=O)SCCN=C(O)CCN=C(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
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
sabiork.compound:21213
sabiorkM:21213 		trans-3-Hexenoyl-CoA
hmdb:HMDB0006522 trans-3-Hexenoyl-CoA
(e)-S-3-Hexenoate
(e)-S-3-Hexenoate CoA
(e)-S-3-Hexenoate coenzyme A
(e)-S-3-Hexenoic acid
3-trans-Hexenoylcoenzyme A
S-(3E)-3-Hexenoate
S-(3E)-3-Hexenoate CoA
S-(3E)-3-Hexenoate coenzyme A
S-(3E)-3-Hexenoic acid
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-({[(3-{[2-({2-[(3E)-hex-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(3E)-hex-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
lipidmaps:LMFA07050387
lipidmapsM:LMFA07050387 		trans-3-Hexenoyl-CoA
CoA 6:1
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(3E)-hex-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
hmdb:HMDB06522 secondary/obsolete/fantasy identifier