Mediomycin A

AlkaPlorer ID: AK168353

Synonym: ''

IUPAC Name: (2E,4E,6E,10E,12S,13R,14R,15R,16E,18E,20E,22E,24E,26E,30R,33S,35S,36E,39S,41R,43R,44E,47S,49S,50E,53S,55R)-58-amino-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxooctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid

Structure

SMILES: C/C(=C\C=C\C=C\CC/C=C/[C@H](C)[C@@H](O)[C@H](C)[C@H](O)/C=C/C=C/C=C/C=C/C=C/C=C/CC[C@@H](C)C(=O)C[C@@H](O)C[C@H](O)/C=C/C[C@H](O)C[C@@H](O)C[C@@H](O)/C=C/C[C@H](O)C[C@H](O)/C=C/C[C@H](O)C[C@H](O)CCCN)C(=O)O

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InChI: InChI=1S/C62H97NO14/c1-46(28-20-16-12-9-7-5-6-8-10-15-19-23-38-59(73)49(4)61(75)47(2)29-21-17-13-11-14-18-22-30-48(3)62(76)77)60(74)45-58(72)44-55(69)36-26-35-54(68)43-57(71)42-53(67)34-25-33-51(65)40-50(64)31-24-32-52(66)41-56(70)37-27-39-63/h5-12,14-16,18-19,21-26,29-31,34,36,38,46-47,49-59,61,64-73,75H,13,17,20,27-28,32-33,35,37,39-45,63H2,1-4H3,(H,76,77)/b6-5+,9-7+,10-8+,14-11+,16-12+,19-15+,22-18+,29-21+,31-24+,34-25+,36-26+,38-23+,48-30+/t46-,47+,49-,50-,51+,52+,53+,54+,55-,56-,57+,58+,59-,61-/m1/s1

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InChIKey: NQPKCOOEURYZHM-NYMAKHGESA-N

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Properties Information

Molecule Weight: 1080.4510000000002

TPSA: 302.92

MolLogP: 6.949200000000013

Number of H-Donors: 13

Number of H-Acceptors: 14

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information