TRICHOMYCIN A

Details

Stereochemistry	MIXED
Molecular Formula	C58H84N2O18
Molecular Weight	1097.2902
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@H](OC(=O)CC(=O)CC(O)CC(O)CCC[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2)[C@@H](C)CC[C@H](O)CC(=O)C4=CC=C(N)C=C4

InChI

InChIKey=IDWJWYPAJJDASX-PFHLWYDJSA-N

InChI=1S/C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)28-41(62)19-16-18-40(61)27-43(64)29-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40-43,45-46,48-49,51-55,57,61-64,66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35-,36-,37+,40?,41-,42-,43?,45-,46?,48-,49-,51+,52-,53+,54-,55-,57-,58+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C58H84N2O18
Molecular Weight	1097.2902
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	15 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:55:52 GMT 2023` Edited by `admin` on `Sat Dec 16 17:55:52 GMT 2023`
Record UNII	P5I7ET2D9E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRICHOMYCIN A

Common Name

English

CANDICIDIN D, 40-DEMETHYL-7,15-DIDEOXO-9,19-DIDEOXY-15,19-EPOXY-5,7,15-TRIHYDROXY-

Brand Name

English

33-(3-AMINO-3,6-DIDEOXY-B-D-MANNOPYRANOSYLOXY)-17-(6-(4-AMINOPHENYL)-4-HYDROXY-1-METHYL-6-OXOHEXYL)-1,3,5,9,11,37-HEXAHYDROXY-18-METHYL-13,15-DIOXO-16,39-DIOXABICYCLO(33.3.1)NONATRIACONTA-19,21,23,25,27,29,31-HEPTAENE-36-CARBOXYLIC ACID

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID801037012

Created by admin on Sat Dec 16 17:55:52 GMT 2023 , Edited by admin on Sat Dec 16 17:55:52 GMT 2023

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FDA UNII

P5I7ET2D9E

Created by admin on Sat Dec 16 17:55:52 GMT 2023 , Edited by admin on Sat Dec 16 17:55:52 GMT 2023

PRIMARY

PUBCHEM

145925529

Created by admin on Sat Dec 16 17:55:52 GMT 2023 , Edited by admin on Sat Dec 16 17:55:52 GMT 2023

PRIMARY

CAS

12698-99-6

Created by admin on Sat Dec 16 17:55:52 GMT 2023 , Edited by admin on Sat Dec 16 17:55:52 GMT 2023

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