| Properties | Image |
|---|
| MNX_ID | MNXM1371919 |
 |
| reference | metacycM:CPD0-2219 |
| formula | C83H135NO27P2 |
| global charge | -2 |
| mol weight | 1640.921 |
| InChIKey | SOZYQWIVOMQYML-KIWKAZHESA-L |
| InChI | InChI=1S/C83H137NO27P2/c1-51(2)26-16-27-52(3)28-17-29-53(4)30-18-31-54(5)32-19-33-55(6)34-20-35-56(7)36-21-37-57(8)38-22-39-58(9)40-23-41-59(10)42-24-43-60(11)44-25-45-61(12)46-47-102-112(97,98)111-113(99,100)110-80-68(84-63(14)87)77(71(92)66(49-86)105-80)108-83-79(104-64(15)88)78(69(90)62(13)103-83)109-82-74(95)72(93)70(91)67(106-82)50-101-81-75(96)73(94)76(107-81)65(89)48-85/h26,28,30,32,34,36,38,40,42,44,46,62,65-83,85-86,89-96H,16-25,27,29,31,33,35,37,39,41,43,45,47-50H2,1-15H3,(H,84,87)(H,97,98)(H,99,100)/p-2/b52-28+,53-30+,54-32+,55-34+,56-36+,57-38+,58-40+,59-42+,60-44+,61-46+ |
| SMILES | CC(=O)NC1C(OP(=O)([O-])OP(=O)([O-])OC/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)CCC=C(C)C)OC(CO)C(O)C1OC1OC(C)C(O)C(OC2OC(COC3OC(C(O)CO)C(O)C3O)C(O)C(O)C2O)C1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C83H137NO27P2/c1-51(2)26-16-27-52(3)28-17-29-53(4)30-18-31-54(5)32-19-33-55(6)34-20-35-56(7)36-21-37-57(8)38-22-39-58(9)40-23-41-59(10)42-24-43-60(11)44-25-45-61(12)46-47-102-112(97,98)111-113(99,100)110-80-68(84-63(14)87)77(71(92)66(49-86)105-80)108-83-79(104-64(15)88)78(69(90)62(13)103-83)109-82-74(95)72(93)70(91)67(106-82)50-101-81-75(96)73(94)76(107-81)65(89)48-85/h26,28,30,32,34,36,38,40,42,44,46,62,65-83,85-86,89-96H,16-25,27,29,31,33,35,37,39,41,43,45,47-50H2,1-15H3,(H,84,87)(H,97,98)(H,99,100)/b52-28+,53-30+,54-32+,55-34+,56-36+,57-38+,58-40+,59-42+,60-44+,61-46+/t62?,65?,66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83? |
 |
| SMILES (mnx) | [CH3:1][C:51]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:52]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:53]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:54]([CH3:5])=[CH:32]/[CH2:19][CH2:33]/[C:55]([CH3:6])=[CH:34]/[CH2:20][CH2:35]/[C:56]([CH3:7])=[CH:36]/[CH2:21][CH2:37]/[C:57]([CH3:8])=[CH:38]/[CH2:22][CH2:39]/[C:58]([CH3:9])=[CH:40]/[CH2:23][CH2:41]/[C:59]([CH3:10])=[CH:42]/[CH2:24][CH2:43]/[C:60]([CH3:11])=[CH:44]/[CH2:25][CH2:45]/[C:61]([CH3:12])=[CH:46]/[CH2:47][O:102][P:112]([OH:97])(=[O:98])[O:111][P:113]([OH:99])(=[O:100])[O:110][CH:80]1[CH:68]([N:84]=[C:63]([CH3:14])[OH:87])[CH:77]([O:108][CH:83]2[CH:79]([O:104][C:64]([CH3:15])=[O:88])[CH:78]([O:109][CH:82]3[CH:74]([OH:95])[CH:72]([OH:93])[CH:70]([OH:91])[CH:67]([CH2:50][O:101][CH:81]4[CH:75]([OH:96])[CH:73]([OH:94])[CH:76]([CH:65]([CH2:48][OH:85])[OH:89])[O:107]4)[O:106]3)[CH:69]([OH:90])[CH:62]([CH3:13])[O:103]2)[CH:71]([OH:92])[CH:66]([CH2:49][OH:86])[O:105]1 |
|