| Properties | Image |
|---|
| MNX_ID | MNXM741042 |
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| reference | metacycM:CPD0-2153 |
| formula | C61H99NO8P |
| global charge | -1 |
| mol weight | 1005.436 |
| InChIKey | YYVYMEXYAGAGTM-MOVGJWTDSA-M |
| InChI | InChI=1S/C61H100NO8P/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-69-71(66,67)70-60-58(64)59(65)61(62,45-63)46-68-60/h23,25,27,29,31,33,35,37,39,41,43,45,58-60,64-65H,13-22,24,26,28,30,32,34,36,38,40,42,44,46,62H2,1-12H3,(H,66,67)/p-1/b48-25+,49-27+,50-29+,51-31+,52-33+,53-35+,54-37+,55-39+,56-41+,57-43+/t58-,59-,60+,61?/m1/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])O[C@@H]1OCC(N)(C=O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C61H100NO8P/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-69-71(66,67)70-60-58(64)59(65)61(62,45-63)46-68-60/h23,25,27,29,31,33,35,37,39,41,43,45,58-60,64-65H,13-22,24,26,28,30,32,34,36,38,40,42,44,46,62H2,1-12H3,(H,66,67)/b48-25+,49-27+,50-29+,51-31+,52-33+,53-35+,54-37+,55-39+,56-41+,57-43+/t58-,59-,60+,61?/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:47]([CH3:2])=[CH:23][CH2:13][CH2:24]/[C:48]([CH3:3])=[CH:25]/[CH2:14][CH2:26]/[C:49]([CH3:4])=[CH:27]/[CH2:15][CH2:28]/[C:50]([CH3:5])=[CH:29]/[CH2:16][CH2:30]/[C:51]([CH3:6])=[CH:31]/[CH2:17][CH2:32]/[C:52]([CH3:7])=[CH:33]/[CH2:18][CH2:34]/[C:53]([CH3:8])=[CH:35]/[CH2:19][CH2:36]/[C:54]([CH3:9])=[CH:37]/[CH2:20][CH2:38]/[C:55]([CH3:10])=[CH:39]/[CH2:21][CH2:40]/[C:56]([CH3:11])=[CH:41]/[CH2:22][CH2:42]/[C:57]([CH3:12])=[CH:43]/[CH2:44][O:69][P:71]([OH:66])(=[O:67])[O:70][C@H:60]1[C@H:58]([OH:64])[C@@H:59]([OH:65])[C:61]([CH:45]=[O:63])([NH2:62])[CH2:46][O:68]1 |
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