| Properties | Image |
|---|
| MNX_ID | MNXM160572 |
 |
| reference | hmdb:HMDB0061552 |
| formula | C46H78NO12P |
| global charge | 0 |
| mol weight | 868.099 |
| InChIKey | GEBZEXLPFXOQHT-UHFFFAOYSA-N |
| InChI | InChI=1S/C46H78NO12P/c1-7-25-40-34(3)36(5)42(58-40)27-21-17-13-9-11-15-19-23-29-44(48)54-31-38(32-55-60(52,53)56-33-39(47)46(50)51)57-45(49)30-24-20-16-12-10-14-18-22-28-43-37(6)35(4)41(59-43)26-8-2/h38-39H,7-33,47H2,1-6H3,(H,50,51)(H,52,53) |
| SMILES | CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1 |
MNX internals
| InChI (mnx) | InChI=1/C46H78NO12P/c1-7-25-40-34(3)36(5)42(58-40)27-21-17-13-9-11-15-19-23-29-44(48)54-31-38(32-55-60(52,53)56-33-39(47)46(50)51)57-45(49)30-24-20-16-12-10-14-18-22-28-43-37(6)35(4)41(59-43)26-8-2/h38-39H,7-33,47H2,1-6H3,(H,50,51)(H,52,53)/t38?,39? |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:25][C:40]1=[C:34]([CH3:3])[C:36]([CH3:5])=[C:42]([CH2:27][CH2:21][CH2:17][CH2:13][CH2:9][CH2:11][CH2:15][CH2:19][CH2:23][CH2:29][C:44](=[O:48])[O:54][CH2:31][CH:38]([CH2:32][O:55][P:60]([OH:52])(=[O:53])[O:56][CH2:33][CH:39]([C:46](=[O:50])[OH:51])[NH2:47])[O:57][C:45]([CH2:30][CH2:24][CH2:20][CH2:16][CH2:12][CH2:10][CH2:14][CH2:18][CH2:22][CH2:28][C:43]2=[C:37]([CH3:6])[C:35]([CH3:4])=[C:41]([CH2:26][CH2:8][CH3:2])[O:59]2)=[O:49])[O:58]1 |
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