| Properties | Image |
MNX_ID | MNXM343656 |
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reference | slm:000005498 |
formula | C40H67NO10P |
global charge | -1 |
mol weight | 752.947 |
InChIKey | SUMPFTLCZVPCHP-RBODHPSOSA-M |
InChI | InChI=1S/C40H68NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-39(43)51-36(33-48-38(42)31-4-2)34-49-52(46,47)50-35-37(41)40(44)45/h5-6,8-9,11-12,14-15,17-18,36-37H,3-4,7,10,13,16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/p-1/b6-5-,9-8-,12-11-,15-14-,18-17-/t36-,37+/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
InChI (mnx) | InChI=1/C40H68NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-39(43)51-36(33-48-38(42)31-4-2)34-49-52(46,47)50-35-37(41)40(44)45/h5-6,8-9,11-12,14-15,17-18,36-37H,3-4,7,10,13,16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b6-5-,9-8-,12-11-,15-14-,18-17-/t36-,37+/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3]/[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][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][C:39](=[O:43])[O:51][C@H:36]([CH2:33][O:48][C:38]([CH2:31][CH2:4][CH3:2])=[O:42])[CH2:34][O:49][P:52]([OH:46])(=[O:47])[O:50][CH2:35][C@@H:37]([C:40](=[O:44])[OH:45])[NH2:41] |
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