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(15Z)-tetracosenoyl-CoA

PropertiesImage
MNX_IDMNXM1103643 Image of MNXM1103643
referencechebi:74128
formulaC45H76N7O17P3S
global charge-4
mol weight1112.124
InChIKeyQHZAQVTVYPHLKK-YVBAAGQKSA-J
InChIInChI=1S/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,32-34,38-40,44,55-56H,4-10,13-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b12-11-/t34-,38-,39-,40+,44-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=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]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,32-34,38-40,44,55-56H,4-10,13-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b12-11-/t34-,38-,39-,40+,44-/m1/s1 Image of MNXM1103643
SMILES (mnx)[C@@H:1]1([CH:38]2[c:39]3[c:41]([c:44]([NH2:47])[n:46][cH:45][cH:42]3)[CH:43]=[CH:40]2)[CH2:2][C@@H:4]([CH2:32][CH2:25][C:31]([CH2:24][C:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[C@H:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][NH:48][N:50](=[NH:49])[NH:51][O:67][NH:52][O:53][O:54][O:55][O:56][O:57][O:58][O:59][O:60][O:61][PH:72]/[P:70]=[P:71]\[S:73][O:62][O:63][O:64][O:65][O:66][O:68][OH:69])=[CH2:11])=[CH2:15])[CH3:22])(=[CH2:26])[CH3:27])(=[CH2:28])[CH3:29])[C@H:5]([CH2:33][C:36]([CH3:34])([CH3:35])=[CH2:37])[CH:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)25
in models (compartimentalized) 19
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74128
chebi:74128
QHZAQVTVYPHLKK-YVBAAGQKSA-J 		(15Z)-tetracosenoyl-CoA
(15Z)-tetracosenoyl-CoA(4-)
(15Z)-tetracosenoyl-coenzyme A(4-)
15cis-C24:1-CoA(4-)
15cis-nervonoyl-CoA(4-)
15cis-tetracosenoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(15Z)-tetracos-15-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
nervonoyl-CoA(4-)
nervonoyl-coenzyme A(4-)

SLM:000000608
slm:000000608
QHZAQVTVYPHLKK-YVBAAGQKSA-J 		(15Z)-tetracosenoyl-CoA

CHEBI:74142
chebi:74142
QHZAQVTVYPHLKK-YVBAAGQKSA-N 		(15Z)-tetracosenoyl-CoA
(15Z)-Tetracosenoyl-CoA
(15Z)-tetracosenoyl-coenzyme A
(Z)-15-tetracosenoyl-CoA
15cis-tetracosenoyl-CoA
15cis-tetracosenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(15Z)-tetracos-15-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Nervonoyl-CoA
Tetracosenoyl-CoA
nervonoyl-CoA
nervonoyl-coenzyme A

metacyc.compound:CPD-14269
metacycM:CPD-14269
QHZAQVTVYPHLKK-YVBAAGQKSA-J 		(15Z)-tetracosenoyl-CoA
(15Z)-tetracos-15-enoyl-CoA
nervonoyl-CoA

lipidmaps:LMFA07050098
lipidmapsM:LMFA07050098
QHZAQVTVYPHLKK-YVBAAGQKSA-N 		(15Z)-tetracosenoyl-CoA
(15Z)-tetracosenoyl-coenzyme A
(Z)-15-tetracosenoyl-CoA
15Z-tetracosenoyl-CoA
15cis-tetracosenoyl-CoA
15cis-tetracosenoyl-coenzyme A
CoA 24:1
Tetracosenoyl-CoA
nervonoyl-CoA
nervonoyl-coenzyme A
hmdb:HMDB0062221
QHZAQVTVYPHLKK-YVBAAGQKSA-N 		15Z-tetracosenoyl-CoA
(15Z)-Tetracosenoyl-CoA
(15Z)-Tetracosenoyl-coenzyme A
(Z)-15-Tetracosenoyl-CoA
15cis-Tetracosenoyl-CoA
15cis-Tetracosenoyl-coenzyme A
CoA(24:1(15Z))
Nervonoyl-CoA
Nervonoyl-coenzyme A
Tetracosenoyl-CoA
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy((3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(15Z)-tetracos-15-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(15Z)-tetracos-15-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

seed.compound:cpd16346
seedM:cpd16346
QHZAQVTVYPHLKK-YVBAAGQKSA-J 		Nervonoyl-CoA
(15Z)-Tetracosenoyl-CoA
(Z)-15-tetracosenoyl-CoA
Tetracosenoyl-CoA

bigg.metabolite:nrvnccoa
biggM:nrvnccoa
QHZAQVTVYPHLKK-YVBAAGQKSA-J 		Nervonyl coenzyme A

kegg.compound:C16532
keggC:C16532
QHZAQVTVYPHLKK-YVBAAGQKSA-N 		Tetracosenoyl-CoA
(15Z)-Tetracosenoyl-CoA
Nervonoyl-CoA

vmhM:nrvnccoa
vmhM:nrvnccoa
vmhmetabolite:nrvnccoa
vmhmetabolite:nrvnccoa
QHZAQVTVYPHLKK-YVBAAGQKSA-J 		nervonyl coenzyme A
(2S)-4-({[({[(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)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(

hmdb:HMDB62221
biggM:M_nrvnccoa
keggC:M_C16532
seedM:M_cpd16346
vmhM:M_nrvnccoa 		secondary/obsolete/fantasy identifier