| Properties | Image |
|---|
| MNX_ID | MNXM1130929 |
 |
| reference | lipidmapsM:LMGP14010014 |
| formula | C48H94AsO14P |
| global charge | 0 |
| mol weight | 1001.162 |
| InChIKey | XYIOLRZPHLYMQM-JIGYZZFZSA-N |
| InChI | InChI=1S/C48H94AsO14P/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-45(52)62-42(39-58-44(51)34-32-30-28-26-24-22-18-16-14-12-10-8-6-2)40-61-64(56,57)60-38-41(50)37-59-48-47(54)46(53)43(63-48)36-49(3,4)55/h41-43,46-48,50,53-54H,5-40H2,1-4H3,(H,56,57)/t41?,42-,43-,46-,47-,48-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)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/C48H94AsO14P/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-45(52)62-42(39-58-44(51)34-32-30-28-26-24-22-18-16-14-12-10-8-6-2)40-61-64(56,57)60-38-41(50)37-59-48-47(54)46(53)43(63-48)36-49(3,4)55/h41-43,46-48,50,53-54H,5-40H2,1-4H3,(H,56,57)/t41?,42-,43-,46-,47-,48-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:45](=[O:52])[O:62][C@H:42]([CH2:39][O:58][C:44]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:51])[CH2:40][O:61][P:64]([OH:56])(=[O:57])[O:60][CH2:38][CH:41]([CH2:37][O:59][C@H:48]1[C@H:47]([OH:54])[C@H:46]([OH:53])[C@@H:43]([CH2:36][As:49]([CH3:3])([CH3:4])=[O:55])[O:63]1)[OH:50] |
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