| Properties | Image |
|---|
| MNX_ID | MNXM927671 |
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| reference | slm:000620056 |
| formula | C67H113NO9P |
| global charge | -1 |
| mol weight | 1107.613 |
| InChIKey | SAMHGFBSHUDDSR-JLWVDRLFSA-M |
| InChI | InChI=1S/C67H114NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-38-41-44-47-50-53-56-59-67(71)77-64(62-74-66(70)58-55-52-49-46-43-40-37-27-24-21-18-15-12-9-6-3)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33-34,37,43,46,64H,4-8,10-11,13-15,17,22,24,26,29,32,35-36,38-42,44-45,47-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,34-33-,37-27-,46-43-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H114NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-38-41-44-47-50-53-56-59-67(71)77-64(62-74-66(70)58-55-52-49-46-43-40-37-27-24-21-18-15-12-9-6-3)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33-34,37,43,46,64H,4-8,10-11,13-15,17,22,24,26,29,32,35-36,38-42,44-45,47-63H2,1-3H3,(H,68,69)(H,72,73)/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,34-33-,37-27-,46-43-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:67](=[O:71])[O:77][C@H:64]([CH2:62][O:74][C:66]([CH2:58][CH2:55][CH2:52][CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:70])[CH2:63][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:61][CH2:60][N:68]=[C:65]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:26]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:69] |
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