| Properties | Image |
|---|
| MNX_ID | MNXM193357 |
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| reference | slm:000030587 |
| formula | C46H82NO8P |
| global charge | 0 |
| mol weight | 808.135 |
| InChIKey | BENZSULWEKONCS-RWMNBYATSA-N |
| InChI | InChI=1S/C46H82NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-31-34-37-45(48)52-41-44(42-54-56(50,51)53-40-39-47)55-46(49)38-35-32-29-26-23-24-27-30-33-36-43(2)3/h5-6,8-9,11-12,14-15,17-18,43-44H,4,7,10,13,16,19-42,47H2,1-3H3,(H,50,51)/b6-5-,9-8-,12-11-,15-14-,18-17-/t44-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C46H82NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-31-34-37-45(48)52-41-44(42-54-56(50,51)53-40-39-47)55-46(49)38-35-32-29-26-23-24-27-30-33-36-43(2)3/h5-6,8-9,11-12,14-15,17-18,43-44H,4,7,10,13,16,19-42,47H2,1-3H3,(H,50,51)/b6-5-,9-8-,12-11-,15-14-,18-17-/t44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][C:45](=[O:48])[O:52][CH2:41][C@H:44]([CH2:42][O:54][P:56]([OH:50])(=[O:51])[O:53][CH2:40][CH2:39][NH2:47])[O:55][C:46]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH:43]([CH3:2])[CH3:3])=[O:49] |
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