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2-carboxyhexacosanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM5459Image of MNXM5459
#reac
in my sandbox 0
in MNXref (generic)18
in models (compartimentalized) 0
formulaC48H81N7O19P3S
charge-5
mass1185.185
referencechebi:83578
InChIKeyVUYDEKMWDHLSSI-RVNPWDOLSA-I
InChIInChI=1S/C48H86N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(46(60)61)47(62)78-30-29-50-37(56)27-28-51-44(59)41(58)48(2,3)32-71-77(68,69)74-76(66,67)70-31-36-40(73-75(63,64)65)39(57)45(72-36)55-34-54-38-42(49)52-33-53-43(38)55/h33-36,39-41,45,57-58H,4-32H2,1-3H3,(H,50,56)(H,51,59)(H,60,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-5/t35?,36-,39-,40-,41+,45-/m1/s1
SMILES[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][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH:35]([C:46](=[O:60])[OH:61])[C:47](=[O:62])[S:78][CH2:30][CH2:29][N:50]=[C:37]([CH2:27][CH2:28][N:51]=[C:44]([C@@H:41]([C:48]([CH3:2])([CH3:3])[CH2:32][O:71][P:77]([OH:68])(=[O:69])[O:74][P:76]([OH:66])(=[O:67])[O:70][CH2:31][C@@H:36]1[C@@H:40]([O:73][P:75]([OH:63])([OH:64])=[O:65])[C@@H:39]([OH:57])[C@H:45]([n:55]2[cH:34][n:54][c:38]3[c:42]([NH2:49])[n:52][cH:33][n:53][c:43]32)[O:72]1)[OH:58])[OH:59])[OH:56]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:83578
chebi:83578 		2-carboxyhexacosanoyl-CoA
2-carboxyhexacosanoyl-CoA(5-)
metacyc.compound:CPD1G-332
metacycM:CPD1G-332 		2-carboxycerotoyl-CoA
2-carboxyhexacosanoyl-CoA
SLM:000390137
slm:000390137 		2-carboxyhexacosanoyl-CoA
CHEBI:84305
chebi:84305 		2-carboxyhexacosanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-carboxyhexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
seed.compound:cpd26582
seedM:cpd26582 		2-carboxyl-cerotoyl-CoA
2-carboxy-cerotoyl-CoA
seedM:M_cpd26582 secondary/obsolete/fantasy identifier