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3-hydroxyisoheptadecanoyl-CoA

PropertiesImage
MNX_IDMNXM101839 Image of MNXM101839
referencechebi:71446
formulaC38H64N7O18P3S
global charge-4
mol weight1031.95
InChIKeyUXWUSXRGWGOULX-JKWRZQDASA-J
InChIInChI=1S/C38H68N7O18P3S/c1-25(2)14-12-10-8-6-5-7-9-11-13-15-26(46)20-29(48)67-19-18-40-28(47)16-17-41-36(51)33(50)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-32(62-64(52,53)54)31(49)37(61-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-27,31-33,37,46,49-50H,5-22H2,1-4H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/p-4/t26?,27-,31-,32-,33+,37-/m1/s1
SMILESCC(C)CCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C38H68N7O18P3S/c1-25(2)14-12-10-8-6-5-7-9-11-13-15-26(46)20-29(48)67-19-18-40-28(47)16-17-41-36(51)33(50)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-32(62-64(52,53)54)31(49)37(61-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-27,31-33,37,46,49-50H,5-22H2,1-4H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/t26?,27-,31-,32-,33+,37-/m1/s1 Image of MNXM101839
SMILES (mnx)[CH3:1][CH:25]([CH3:2])[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH:26]([CH2:20][C:29](=[O:48])[S:67][CH2:19][CH2:18][N:40]=[C:28]([CH2:16][CH2:17][N:41]=[C:36]([C@@H:33]([C:38]([CH3:3])([CH3:4])[CH2:22][O:60][P:66]([OH:57])(=[O:58])[O:63][P:65]([OH:55])(=[O:56])[O:59][CH2:21][C@@H:27]1[C@@H:32]([O:62][P:64]([OH:52])([OH:53])=[O:54])[C@@H:31]([OH:49])[C@H:37]([N:45]2[CH:24]=[N:44][C:30]3=[C:34]([NH2:39])[N:42]=[CH:23][N:43]=[C:35]32)[O:61]1)[OH:50])[OH:51])[OH:47])[OH:46]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71446
chebi:71446
UXWUSXRGWGOULX-JKWRZQDASA-J 		3-hydroxyisoheptadecanoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
3-hydroxy-15-methylhexadecanoyl-CoA(4-)
3-hydroxy-15-methylhexadecanoyl-coenzyme A(4-)
3-hydroxy-15-methylpalmitoyl-CoA(4-)
3-hydroxy-15-methylpalmitoyl-coenzyme A(4-)
3-hydroxyisoheptadecanoyl-CoA(4-)
3-hydroxyisoheptadecanoyl-coenzyme A(4-)

SLM:000000281
slm:000000281
UXWUSXRGWGOULX-JKWRZQDASA-J 		3-hydroxyisoheptadecanoyl-CoA

CHEBI:72003
chebi:72003
UXWUSXRGWGOULX-JKWRZQDASA-N 		3-hydroxyisoheptadecanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-hydroxy-15-methylhexadecanoyl-CoA
3-hydroxy-15-methylhexadecanoyl-coenzyme A
3-hydroxy-15-methylpalmitoyl-CoA
3-hydroxy-15-methylpalmitoyl-coenzyme A
3-hydroxyisoheptadecanoyl-coenzyme A

lipidmaps:LMFA07050219
lipidmapsM:LMFA07050219
UXWUSXRGWGOULX-JKWRZQDASA-N 		3-hydroxyisoheptadecanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-hydroxy-15-methylhexadecanoyl-CoA
3-hydroxy-15-methylhexadecanoyl-coenzyme A
3-hydroxy-15-methylpalmitoyl-CoA
3-hydroxy-15-methylpalmitoyl-coenzyme A
3-hydroxyisoheptadecanoyl-coenzyme A
CoA 17:0
O