| Properties | Image |
|---|
| MNX_ID | MNXM1130922 |
 |
| reference | lipidmapsM:LMGP14010007 |
| formula | C45H88AsO14P |
| global charge | 0 |
| mol weight | 959.081 |
| InChIKey | VVGRQANCYXBIHW-QOUJAONVSA-N |
| InChI | InChI=1S/C45H88AsO14P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41(48)55-36-39(59-42(49)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)37-58-61(53,54)57-35-38(47)34-56-45-44(51)43(50)40(60-45)33-46(3,4)52/h38-40,43-45,47,50-51H,5-37H2,1-4H3,(H,53,54)/t38?,39-,40-,43-,44-,45-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(O)CO[C@@H]1O[C@H](C[As](C)(C)=O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H88AsO14P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41(48)55-36-39(59-42(49)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)37-58-61(53,54)57-35-38(47)34-56-45-44(51)43(50)40(60-45)33-46(3,4)52/h38-40,43-45,47,50-51H,5-37H2,1-4H3,(H,53,54)/t38?,39-,40-,43-,44-,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][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][C:41](=[O:48])[O:55][CH2:36][C@H:39]([CH2:37][O:58][P:61]([OH:53])(=[O:54])[O:57][CH2:35][CH:38]([CH2:34][O:56][C@H:45]1[C@H:44]([OH:51])[C@H:43]([OH:50])[C@@H:40]([CH2:33][As:46]([CH3:3])([CH3:4])=[O:52])[O:60]1)[OH:47])[O:59][C:42]([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][CH3:2])=[O:49] |
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