CL(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Properties Image MNX_ID MNXM122977 reference hmdb:HMDB0058703 formula C83H142O17P2 global charge 0 mol weight 1473.98 InChIKey NYDDKZMFHSAIBH-UADJNRMDSA-N InChI InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-36,38-41,46,50,58,62,77-79,84H,5-8,10-12,14-20,24,28-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,27-23-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77-,78+,79+/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-37-38-39-42-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-45-41-35-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-36,38-41,46,50,58,62,77-79,84H,5-8,10-12,14-20,24,28-32,37,42-45,47-49,51-57,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,27-23-,36-33-,39-38-,40-34-,41-35-,50-46-,62-58-/t77-,78+,79+/m0/s1 SMILES (mnx) [CH3:1][CH2:5]/[CH:9]=[CH:13]\[CH2:17]/[CH:21]=[CH:25]\[CH2:29]/[CH:33]=[CH:36]\[CH2:37]/[CH:38]=[CH:39]\[CH2:42]/[CH:46]=[CH:50]\[CH2:54]/[CH:58]=[CH:62]\[CH2:66][CH2:70][C:83](=[O:88])[O:100][C@H:79]([CH2:74][O:94][C:81]([CH2:68][CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:45]/[CH:41]=[CH:35]\[CH2:31]/[CH:27]=[CH:23]\[CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:86])[CH2:76][O:98][P:102]([OH:91])(=[O:92])[O:96][CH2:72][C@H:77]([CH2:71][O:95][P:101]([OH:89])(=[O:90])[O:97][CH2:75][C@@H:78]([CH2:73][O:93][C:80]([CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:44]/[CH:40]=[CH:34]\[CH2:30]/[CH:26]=[CH:22]\[CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:85])[O:99][C:82]([CH2:69][CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:43][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:87])[OH:84]

Parent-child relations graph

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