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

2-carboxyhexacosanoyl-CoA

Properties Image MNX_ID MNXM5459 reference chebi:83578 formula C48H81N7O19P3S global charge -5 mol weight 1185.195 InChIKey VUYDEKMWDHLSSI-RVNPWDOLSA-I InChI InChI=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 CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])C(=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/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)/t35?,36-,39-,40-,41+,45-/m1/s1 SMILES (mnx) [C@@H:1]1([CH:38]2[c:39]3[c:41]([c:44]([CH3:47])[cH: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][CH2:48][N:50](=[NH:49])[N:51]([NH:52][O:56][O:57][O:58][O:59][O:60][O:61][O:62][O:63][O:69][O:70][O:73][O:74][PH:75][PH:76][O:71][O:72][O:64][O:65][O:66][O:67][O:68][PH:77][SH:78])[N:53](=[NH:54])[NH2:55])=[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) 18 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:83578 chebi:83578 VUYDEKMWDHLSSI-RVNPWDOLSA-I	2-carboxyhexacosanoyl-CoA 2-carboxyhexacosanoyl-CoA(5-)
metacyc.compound:CPD1G-332 metacycM:CPD1G-332 VUYDEKMWDHLSSI-RVNPWDOLSA-I	2-carboxycerotoyl-CoA 2-carboxyhexacosanoyl-CoA
SLM:000390137 slm:000390137 VUYDEKMWDHLSSI-RVNPWDOLSA-I	2-carboxyhexacosanoyl-CoA
CHEBI:84305 chebi:84305 VUYDEKMWDHLSSI-RVNPWDOLSA-N	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 VUYDEKMWDHLSSI-RVNPWDOLSA-I	2-carboxyl-cerotoyl-CoA 2-carboxy-cerotoyl-CoA
seedM:M_cpd26582	secondary/obsolete/fantasy identifier