| Properties | Image |
|---|
| MNX_ID | MNXM1130931 |
 |
| reference | lipidmapsM:LMGP14040002 |
| formula | C33H66AsO13P |
| global charge | 0 |
| mol weight | 776.774 |
| InChIKey | YQQNRCDEVKUMKF-UHQOJOICSA-N |
| InChI | InChI=1S/C33H66AsO13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(37)43-23-27(35)25-45-48(41,42)46-26-28(36)24-44-33-32(39)31(38)29(47-33)22-34(2,3)40/h27-29,31-33,35-36,38-39H,4-26H2,1-3H3,(H,41,42)/t27-,28?,29-,31-,32-,33-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC(O)CO[C@@H]1O[C@H](C[As](C)(C)=O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H66AsO13P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(37)43-23-27(35)25-45-48(41,42)46-26-28(36)24-44-33-32(39)31(38)29(47-33)22-34(2,3)40/h27-29,31-33,35-36,38-39H,4-26H2,1-3H3,(H,41,42)/t27-,28?,29-,31-,32-,33-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:30](=[O:37])[O:43][CH2:23][C@H:27]([CH2:25][O:45][P:48]([OH:41])(=[O:42])[O:46][CH2:26][CH:28]([CH2:24][O:44][C@H:33]1[C@H:32]([OH:39])[C@H:31]([OH:38])[C@@H:29]([CH2:22][As:34]([CH3:2])([CH3:3])=[O:40])[O:47]1)[OH:36])[OH:35] |
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