| Properties | Image |
|---|
| MNX_ID | MNXM27836 |
 |
| reference | lipidmapsM:LMGP04040002 |
| formula | C44H73O8P |
| global charge | 0 |
| mol weight | 761.034 |
| InChIKey | UMADEKBFSHQMRM-ODWHZCLLSA-N |
| InChI | InChI=1S/C44H73O8P/c45-23-29(46)24-51-53(47,48)52-26-30(25-49-19-9-6-4-8-12-28-22-37-38(28)44-42-34-18-17-33(34)41(42)43(37)44)50-20-10-5-2-1-3-7-11-27-13-14-35-36(21-27)40-32-16-15-31(32)39(35)40/h27-46H,1-26H2,(H,47,48)/t27?,28?,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?/m0/s1 |
| SMILES | O=P(O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCCC1CC2C1C1C3C4CCC4C3C21)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21 |
MNX internals
| InChI (mnx) | InChI=1/C44H73O8P/c45-23-29(46)24-51-53(47,48)52-26-30(25-49-19-9-6-4-8-12-28-22-37-38(28)44-42-34-18-17-33(34)41(42)43(37)44)50-20-10-5-2-1-3-7-11-27-13-14-35-36(21-27)40-32-16-15-31(32)39(35)40/h27-46H,1-26H2,(H,47,48)/t27?,28?,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:5][CH2:10][CH2:20][O:50][C@H:30]([CH2:25][O:49][CH2:19][CH2:9][CH2:6][CH2:4][CH2:8][CH2:12][CH:28]1[CH2:22][CH:37]2[CH:38]1[CH:44]1[CH:42]3[CH:34]4[CH2:18][CH2:17][CH:33]4[CH:41]3[CH:43]21)[CH2:26][O:52][P:53]([OH:47])(=[O:48])[O:51][CH2:24][C@H:29]([CH2:23][OH:45])[OH:46])[CH2:3][CH2:7][CH2:11][CH:27]1[CH2:13][CH2:14][CH:35]2[CH:36]([CH2:21]1)[CH:40]1[CH:32]3[CH2:16][CH2:15][CH:31]3[CH:39]21 |
|