| Properties | Image |
|---|
| MNX_ID | MNXM1051517 |
 |
| reference | slm:000743917 |
| formula | C72H119N3O15P2 |
| global charge | -2 |
| mol weight | 1328.698 |
| InChIKey | KSFVMENITKPDAG-JPLLGOGISA-L |
| InChI | InChI=1S/C72H121N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-68(77)88-64(61-85-67(76)57-55-53-51-49-47-45-43-41-39-22-20-18-16-14-12-10-8-6-4-2)62-86-91(81,82)90-92(83,84)87-63-65-69(78)70(79)71(89-65)75-60-59-66(73)74-72(75)80/h5,7,11-14,17-20,23-24,26-27,39,41,59-60,64-65,69-71,78-79H,3-4,6,8-10,15-16,21-22,25,28-38,40,42-58,61-63H2,1-2H3,(H,81,82)(H,83,84)(H2,73,74,80)/p-2/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,41-39-/t64-,65-,69-,70-,71-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C72H121N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-68(77)88-64(61-85-67(76)57-55-53-51-49-47-45-43-41-39-22-20-18-16-14-12-10-8-6-4-2)62-86-91(81,82)90-92(83,84)87-63-65-69(78)70(79)71(89-65)75-60-59-66(73)74-72(75)80/h5,7,11-14,17-20,23-24,26-27,39,41,59-60,64-65,69-71,78-79H,3-4,6,8-10,15-16,21-22,25,28-38,40,42-58,61-63H2,1-2H3,(H,81,82)(H,83,84)(H2,73,74,80)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,41-39-/t64-,65-,69-,70-,71-/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][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][C:68](=[O:77])[O:88][C@H:64]([CH2:61][O:85][C:67]([CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:76])[CH2:62][O:86][P:91]([OH:81])(=[O:82])[O:90][P:92]([OH:83])(=[O:84])[O:87][CH2:63][C@@H:65]1[C@@H:69]([OH:78])[C@@H:70]([OH:79])[C@H:71]([N:75]2[CH:60]=[CH:59][C:66](=[NH:73])[N:74]=[C:72]2[OH:80])[O:89]1 |
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