| Properties | Image |
|---|
| MNX_ID | MNXM342693 |
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| reference | slm:000005444 |
| formula | C28H45NO10P |
| global charge | -1 |
| mol weight | 586.639 |
| InChIKey | BHBFUXMUYYLAMZ-BUDCTJCUSA-M |
| InChI | InChI=1S/C28H46NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)39-25(21-36-24(2)30)22-37-40(34,35)38-23-26(29)28(32)33/h7-8,10-11,13-14,16-17,25-26H,3-6,9,12,15,18-23,29H2,1-2H3,(H,32,33)(H,34,35)/p-1/b8-7-,11-10-,14-13-,17-16-/t25-,26+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C28H46NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)39-25(21-36-24(2)30)22-37-40(34,35)38-23-26(29)28(32)33/h7-8,10-11,13-14,16-17,25-26H,3-6,9,12,15,18-23,29H2,1-2H3,(H,32,33)(H,34,35)/b8-7-,11-10-,14-13-,17-16-/t25-,26+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][C:27](=[O:31])[O:39][C@H:25]([CH2:21][O:36][C:24]([CH3:2])=[O:30])[CH2:22][O:37][P:40]([OH:34])(=[O:35])[O:38][CH2:23][C@@H:26]([C:28](=[O:32])[OH:33])[NH2:29] |
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