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

Properties Image MNX_ID MNXM1110817 reference hmdb:HMDB0089935 formula C65H122O17P2 global charge 0 mol weight 1237.622 InChIKey AAZUBWSZDOIWKA-UJRINKEJSA-N InChI InChI=1S/C65H122O17P2/c1-8-10-11-12-13-14-15-16-17-18-19-20-23-34-41-48-64(69)81-60(52-75-62(67)46-39-32-24-21-22-29-36-43-56(3)4)54-79-83(71,72)77-50-59(66)51-78-84(73,74)80-55-61(82-65(70)49-42-35-27-25-30-37-44-57(5)6)53-76-63(68)47-40-33-28-26-31-38-45-58(7)9-2/h14-17,56-61,66H,8-13,18-55H2,1-7H3,(H,71,72)(H,73,74)/b15-14-,17-16-/t58?,59-,60-,61-/m1/s1 SMILES CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C65H122O17P2/c1-8-10-11-12-13-14-15-16-17-18-19-20-23-34-41-48-64(69)81-60(52-75-62(67)46-39-32-24-21-22-29-36-43-56(3)4)54-79-83(71,72)77-50-59(66)51-78-84(73,74)80-55-61(82-65(70)49-42-35-27-25-30-37-44-57(5)6)53-76-63(68)47-40-33-28-26-31-38-45-58(7)9-2/h14-17,56-61,66H,8-13,18-55H2,1-7H3,(H,71,72)(H,73,74)/b15-14-,17-16-/t58?,59-,60-,61-/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][CH2:19][CH2:20][CH2:23][CH2:34][CH2:41][CH2:48][C:64](=[O:69])[O:81][C@H:60]([CH2:52][O:75][C:62]([CH2:46][CH2:39][CH2:32][CH2:24][CH2:21][CH2:22][CH2:29][CH2:36][CH2:43][CH:56]([CH3:3])[CH3:4])=[O:67])[CH2:54][O:79][P:83]([OH:71])(=[O:72])[O:77][CH2:50][C@H:59]([CH2:51][O:78][P:84]([OH:73])(=[O:74])[O:80][CH2:55][C@@H:61]([CH2:53][O:76][C:63]([CH2:47][CH2:40][CH2:33][CH2:28][CH2:26][CH2:31][CH2:38][CH2:45][CH:58]([CH3:7])[CH2:9][CH3:2])=[O:68])[O:82][C:65]([CH2:49][CH2:42][CH2:35][CH2:27][CH2:25][CH2:30][CH2:37][CH2:44][CH:57]([CH3:5])[CH3:6])=[O:70])[OH:66]

Parent-child relations graph

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