| Properties | Image |
|---|
| MNX_ID | MNXM182592 |
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| reference | slm:000006578 |
| formula | C60H99NO10P |
| global charge | -1 |
| mol weight | 1025.423 |
| InChIKey | OZXJNHXCYGFCBF-JSKHDFGZSA-M |
| InChI | InChI=1S/C60H100NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-59(63)71-56(54-69-72(66,67)70-55-57(61)60(64)65)53-68-58(62)51-49-47-45-43-41-39-37-35-33-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,29-30,33,35,56-57H,3-4,6,8-10,15-16,21-22,25,28,31-32,34,36-55,61H2,1-2H3,(H,64,65)(H,66,67)/p-1/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,35-33-/t56-,57+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C60H100NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-59(63)71-56(54-69-72(66,67)70-55-57(61)60(64)65)53-68-58(62)51-49-47-45-43-41-39-37-35-33-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,29-30,33,35,56-57H,3-4,6,8-10,15-16,21-22,25,28,31-32,34,36-55,61H2,1-2H3,(H,64,65)(H,66,67)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,35-33-/t56-,57+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:59](=[O:63])[O:71][C@H:56]([CH2:53][O:68][C:58]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37]/[CH:35]=[CH:33]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:62])[CH2:54][O:69][P:72]([OH:66])(=[O:67])[O:70][CH2:55][C@@H:57]([C:60](=[O:64])[OH:65])[NH2:61] |
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