CL(a-13:0/18:2(9Z,11Z)/i-12:0/i-17:0)[rac]

Properties Image MNX_ID MNXM1110279 reference hmdb:HMDB0082764 formula C69H130O17P2 global charge 0 mol weight 1293.73 InChIKey WUGQMXNECNMDAH-RUXWCKDGSA-N InChI InChI=1S/C69H130O17P2/c1-8-10-11-12-13-14-15-16-17-18-21-24-27-38-45-52-68(73)86-65(57-80-67(72)51-44-37-32-30-35-42-49-62(7)9-2)59-84-88(77,78)82-55-63(70)54-81-87(75,76)83-58-64(56-79-66(71)50-43-36-31-29-34-41-48-61(5)6)85-69(74)53-46-39-28-25-22-19-20-23-26-33-40-47-60(3)4/h14-17,60-65,70H,8-13,18-59H2,1-7H3,(H,75,76)(H,77,78)/b15-14-,17-16-/t62?,63-,64-,65-/m1/s1 SMILES CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C69H130O17P2/c1-8-10-11-12-13-14-15-16-17-18-21-24-27-38-45-52-68(73)86-65(57-80-67(72)51-44-37-32-30-35-42-49-62(7)9-2)59-84-88(77,78)82-55-63(70)54-81-87(75,76)83-58-64(56-79-66(71)50-43-36-31-29-34-41-48-61(5)6)85-69(74)53-46-39-28-25-22-19-20-23-26-33-40-47-60(3)4/h14-17,60-65,70H,8-13,18-59H2,1-7H3,(H,75,76)(H,77,78)/b15-14-,17-16-/t62?,63-,64-,65-/m1/s1 SMILES (mnx) [CH3:1][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH:16]=[CH:17]/[CH2:18][CH2:21][CH2:24][CH2:27][CH2:38][CH2:45][CH2:52][C:68](=[O:73])[O:86][C@H:65]([CH2:57][O:80][C:67]([CH2:51][CH2:44][CH2:37][CH2:32][CH2:30][CH2:35][CH2:42][CH2:49][CH:62]([CH3:7])[CH2:9][CH3:2])=[O:72])[CH2:59][O:84][P:88]([OH:77])(=[O:78])[O:82][CH2:55][C@@H:63]([CH2:54][O:81][P:87]([OH:75])(=[O:76])[O:83][CH2:58][C@@H:64]([CH2:56][O:79][C:66]([CH2:50][CH2:43][CH2:36][CH2:31][CH2:29][CH2:34][CH2:41][CH2:48][CH:61]([CH3:5])[CH3:6])=[O:71])[O:85][C:69]([CH2:53][CH2:46][CH2:39][CH2:28][CH2:25][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:33][CH2:40][CH2:47][CH:60]([CH3:3])[CH3:4])=[O:74])[OH:70]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0