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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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mithramycin SA
Properties
Image
Occurences in reactions
MNX_ID
MNXM106722
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
formula
C
49
H
69
O
23
charge
-1
mass
1025.42351
reference
metacycM:CPD-14370
InChIKey
ZXQJLBCJKMFMOL-KJKGEEEGSA-M
InChI
InChI=1S/C49H70O23/c1-17-27(68-32-13-28(40(53)19(3)64-32)69-31-12-26(50)39(52)18(2)63-31)11-24-9-23-10-25(46(62-8)48(59)60)45(44(57)37(23)43(56)36(24)38(17)51)72-34-15-29(41(54)21(5)66-34)70-33-14-30(42(55)20(4)65-33)71-35-16-49(7,61)47(58)22(6)67-35/h9,11,18-22,25-26,28-35,39-42,45-47,50-56,58,61H,10,12-16H2,1-8H3,(H,59,60)/p-1/t18-,19-,20-,21-,22-,25-,26-,28-,29-,30-,31+,32+,33+,34+,35+,39-,40-,41-,42+,45+,46+,47-,49+/m1/s1
SMILES
CO[C@H](C(=O)[O-])[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-14370
metacycM:CPD-14370
seed.compound:cpd24325
seedM:cpd24325
mithramycin SA
seedM:M_cpd24325
secondary/obsolete/fantasy identifier