| Properties | Image |
|---|
| MNX_ID | MNXM177330 |
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| reference | slm:000456431 |
| formula | C69H133O16P2 |
| global charge | -3 |
| mol weight | 1280.755 |
| InChIKey | GAFUWOVGIUVSEW-QNFXBWAXSA-K |
| InChI | InChI=1S/C69H136O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-62(70)81-59-61(60-82-87(79,80)85-69-66(74)64(72)65(73)68(67(69)75)84-86(76,77)78)83-63(71)58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h61,64-69,72-75H,3-60H2,1-2H3,(H,79,80)(H2,76,77,78)/p-3/t61-,64+,65+,66-,67-,68-,69+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H136O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-62(70)81-59-61(60-82-87(79,80)85-69-66(74)64(72)65(73)68(67(69)75)84-86(76,77)78)83-63(71)58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h61,64-69,72-75H,3-60H2,1-2H3,(H,79,80)(H2,76,77,78)/t61-,64+,65+,66-,67-,68-,69+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][C:62](=[O:70])[O:81][CH2:59][C@H:61]([CH2:60][O:82][P:87]([OH:79])(=[O:80])[O:85][C@H:69]1[C@H:66]([OH:74])[C@@H:64]([OH:72])[C@H:65]([OH:73])[C@@H:68]([O:84][P:86]([OH:76])([OH:77])=[O:78])[C@H:67]1[OH:75])[O:83][C:63]([CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:71] |
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