| Properties | Image |
|---|
| MNX_ID | MNXM1471241 |
 |
| reference | hmdb:HMDB0207162 |
| formula | C58H112O17P2 |
| global charge | 0 |
| mol weight | 1143.465 |
| InChIKey | LDXZSHNGVRDNLP-SAMNPIAGSA-N |
| InChI | InChI=1S/C58H112O17P2/c1-8-9-10-11-12-13-14-15-27-34-41-57(62)74-53(45-68-55(60)39-32-25-19-16-22-29-36-49(2)3)47-72-76(64,65)70-43-52(59)44-71-77(66,67)73-48-54(75-58(63)42-35-28-21-18-24-31-38-51(6)7)46-69-56(61)40-33-26-20-17-23-30-37-50(4)5/h49-54,59H,8-48H2,1-7H3,(H,64,65)(H,66,67)/t52-,53-,54-/m1/s1 |
| SMILES | CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C58H112O17P2/c1-8-9-10-11-12-13-14-15-27-34-41-57(62)74-53(45-68-55(60)39-32-25-19-16-22-29-36-49(2)3)47-72-76(64,65)70-43-52(59)44-71-77(66,67)73-48-54(75-58(63)42-35-28-21-18-24-31-38-51(6)7)46-69-56(61)40-33-26-20-17-23-30-37-50(4)5/h49-54,59H,8-48H2,1-7H3,(H,64,65)(H,66,67)/t52-,53-,54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:27][CH2:34][CH2:41][C:57](=[O:62])[O:74][C@H:53]([CH2:45][O:68][C:55]([CH2:39][CH2:32][CH2:25][CH2:19][CH2:16][CH2:22][CH2:29][CH2:36][CH:49]([CH3:2])[CH3:3])=[O:60])[CH2:47][O:72][P:76]([OH:64])(=[O:65])[O:70][CH2:43][C@H:52]([CH2:44][O:71][P:77]([OH:66])(=[O:67])[O:73][CH2:48][C@@H:54]([CH2:46][O:69][C:56]([CH2:40][CH2:33][CH2:26][CH2:20][CH2:17][CH2:23][CH2:30][CH2:37][CH:50]([CH3:4])[CH3:5])=[O:61])[O:75][C:58]([CH2:42][CH2:35][CH2:28][CH2:21][CH2:18][CH2:24][CH2:31][CH2:38][CH:51]([CH3:6])[CH3:7])=[O:63])[OH:59] |
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