Search MNXref
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

3-oxopalmitoyl-CoA(4-)

PropertiesImage
MNX_IDMNXM1104713 Image of MNXM1104713
referencechebi:57349
formulaC37H60N7O18P3S
global charge-4
mol weight1015.907
InChIKeyNQMPLXPCRJOSHL-BBECNAHFSA-J
InChIInChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t26-,30-,31-,32+,36-/m1/s1
SMILESCCCCCCCCCCCCCC(=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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32+,36-/m1/s1 Image of MNXM1104713
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:25]([CH2:20][C:28](=[O:47])[S:66][CH2:19][CH2:18][NH:39][C:27]([CH2:16][CH2:17][NH:40][C:35]([C@@H:32]([C:37]([CH3:2])([CH3:3])[CH2:22][O:59][P:65](=[O:56])([OH:57])[O:62][P:64](=[O:54])([OH:55])[O:58][CH2:21][C@@H:26]1[C@@H:31]([O:61][P:63]([OH:51])([OH:52])=[O:53])[C@@H:30]([OH:48])[C@H:36]([n:44]2[cH:24][n:43][c:29]3[c:33]([NH2:38])[n:41][cH:23][n:42][c:34]32)[O:60]1)[OH:49])=[O:50])=[O:46])=[O:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57349
chebi:57349
NQMPLXPCRJOSHL-BBECNAHFSA-J 		3-oxopalmitoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
3-oxohexadecanoyl-CoA

bigg.metabolite:3ohdcoa
biggM:3ohdcoa
NQMPLXPCRJOSHL-BBECNAHFSA-J 		3-Oxohexadecanoyl-CoA

sabiork.compound:2736
sabiorkM:2736
NQMPLXPCRJOSHL-BBECNAHFSA-N 		3-Oxopalmitoyl-CoA
3-Ketohexadecanoyl-CoA
3-Ketopalmitoyl-CoA
3-Oxohexadecanoyl-CoA

kegg.compound:C05259
keggC:C05259
NQMPLXPCRJOSHL-BBECNAHFSA-N 		3-Oxopalmitoyl-CoA
3-Ketopalmitoyl-CoA
3-Oxohexadecanoyl-CoA

seed.compound:cpd03114
seedM:cpd03114
NQMPLXPCRJOSHL-BBECNAHFSA-J 		3-Oxopalmitoyl-CoA
3-Ketopalmitoyl-CoA
3-Oxohexadecanoyl-CoA
3-keto-palmitoyl-CoA
3-oxo-palmitoyl-CoA
3-oxohexadecanoyl-CoA
3ohdcoa

lipidmaps:LMFA07050250
lipidmapsM:LMFA07050250
NQMPLXPCRJOSHL-BBECNAHFSA-N 		3-ketopalmitoyl-CoA
3-oxohexadecanoyl-CoA
3-oxopalmitoyl-CoA
CoA 16:1
O

SLM:000000869
slm:000000869
NQMPLXPCRJOSHL-BBECNAHFSA-J 		3-oxohexadecanoyl-CoA

vmhM:hdcacoaox
vmhM:hdcacoaox
vmhmetabolite:hdcacoaox
vmhmetabolite:hdcacoaox
NQMPLXPCRJOSHL-BBECNAHFSA-J 		3-oxopalmitoyl-CoA(4-)
(epema syndrome)
3-Ketopalmitoleoyl-CoA
3-Ketopalmitoleoyl-coenzyme A
3-Ketopalmitoyl-CoA
3-Ketopalmitoyl-coenzyme A
3-Oxohexadec-9Z-enoyl-CoA
3-Oxohexadec-9Z-enoyl-coenzyme A
3-Oxohexadec-cis-9-enoyl-CoA
3-Oxohexadec-cis-9-enoyl-coenzyme A
3-Oxopalmitoleoyl-CoA
3-Oxopalmitoleoyl-coenzyme A
3-Oxopalmitoyl-CoA
3-Oxopalmitoyl-coenzyme A
3-oxo-cis-9-Hexadecenoyl-CoA
3-oxo-cis-9-Hexadecenoyl-coenzyme A
Cellular membrane
Cytoplasma
Digestion
Ee
Extracellular region
Fauna
Lipid metabolic process
Membrane integrity agent
Membrane stability agent
Peroxisomal
Peroxisome vesicle
Signal transduction
Surface-active agent

reactome:R-ALL-77302
reactomeM:R-ALL-77302
CHEBI:15491
chebi:15491
NQMPLXPCRJOSHL-BBECNAHFSA-N 		3-oxopalmitoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3-Ketopalmitoyl-CoA
3-Oxohexadecanoyl-CoA
3-Oxopalmitoyl-CoA

metacyc.compound:3-OXOPALMITOYL-COA
metacycM:3-OXOPALMITOYL-COA
NQMPLXPCRJOSHL-BBECNAHFSA-J 		3-oxopalmitoyl-CoA
3-ketopalmitoyl-CoA
3-oxohexadecanoyl-CoA

chebi:11875
chebi:1647
chebi:20176
vmhM:3ohdcoa
vmhM:3ohdcoa
vmhM:pmtcoa_3ox
vmhM:pmtcoa_3ox
vmhM:pmtcoaox
vmhM:pmtcoaox
biggM:M_3ohdcoa
keggC:M_C05259
seedM:M_cpd03114
vmhM:M_hdcacoaox 		secondary/obsolete/fantasy identifier