| Properties | Image |
|---|
| MNX_ID | MNXM357258 |
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| reference | slm:000497730 |
| formula | C63H113O13P2 |
| global charge | -3 |
| mol weight | 1140.532 |
| InChIKey | PTEUVEYHZYISRT-YTRGGDQRSA-K |
| InChI | InChI=1S/C63H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-55-63(66)76-61(59-75-78(70,71)74-57-60(64)56-73-77(67,68)69)58-72-62(65)54-52-50-48-46-44-42-40-38-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,29-30,60-61,64H,3-10,12,14-16,18,20-22,25,28,31-59H2,1-2H3,(H,70,71)(H2,67,68,69)/p-3/b13-11-,19-17-,24-23-,27-26-,30-29-/t60-,61+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C63H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-55-63(66)76-61(59-75-78(70,71)74-57-60(64)56-73-77(67,68)69)58-72-62(65)54-52-50-48-46-44-42-40-38-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,26-27,29-30,60-61,64H,3-10,12,14-16,18,20-22,25,28,31-59H2,1-2H3,(H,70,71)(H2,67,68,69)/b13-11-,19-17-,24-23-,27-26-,30-29-/t60-,61+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:63](=[O:66])[O:76][C@H:61]([CH2:58][O:72][C:62]([CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:65])[CH2:59][O:75][P:78]([OH:70])(=[O:71])[O:74][CH2:57][C@H:60]([CH2:56][O:73][P:77]([OH:67])([OH:68])=[O:69])[OH:64] |
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