| Properties | Image |
|---|
| MNX_ID | MNXM344411 |
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| reference | slm:000005545 |
| formula | C28H53NO10P |
| global charge | -1 |
| mol weight | 594.703 |
| InChIKey | BFQFCZCGIDROPJ-RPBOFIJWSA-M |
| InChI | InChI=1S/C28H54NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(31)39-24(21-36-26(30)19-4-2)22-37-40(34,35)38-23-25(29)28(32)33/h24-25H,3-23,29H2,1-2H3,(H,32,33)(H,34,35)/p-1/t24-,25+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C28H54NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(31)39-24(21-36-26(30)19-4-2)22-37-40(34,35)38-23-25(29)28(32)33/h24-25H,3-23,29H2,1-2H3,(H,32,33)(H,34,35)/t24-,25+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][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][CH2:20][C:27](=[O:31])[O:39][C@H:24]([CH2:21][O:36][C:26]([CH2:19][CH2:4][CH3:2])=[O:30])[CH2:22][O:37][P:40]([OH:34])(=[O:35])[O:38][CH2:23][C@@H:25]([C:28](=[O:32])[OH:33])[NH2:29] |
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