PARTRICIN A

Details

Stereochemistry	UNKNOWN
Molecular Formula	C59H86N2O19
Molecular Weight	1127.3161
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC1=CC=C(C=C1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](N)[C@H]4O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C2C)O3)C(O)=O

InChI

InChIKey=PILBMRSRDPAALN-OUXUIHJTSA-N

InChI=1S/C59H86N2O19/c1-35-17-15-13-11-9-7-5-6-8-10-12-14-16-18-47(78-58-55(73)53(60)54(72)37(3)77-58)32-50-52(57(74)75)49(70)34-59(76,80-50)33-46(68)29-44(66)27-42(64)25-41(63)26-43(65)28-45(67)31-51(71)79-56(35)36(2)19-24-40(62)30-48(69)38-20-22-39(61-4)23-21-38/h5-18,20-23,35-37,40-42,44-47,49-50,52-56,58,61-64,66-68,70,72-73,76H,19,24-34,60H2,1-4H3,(H,74,75)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t35?,36?,37-,40?,41?,42?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58+,59?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C59H86N2O19
Molecular Weight	1127.3161
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	5 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:42:03 GMT 2023` Edited by `admin` on `Fri Dec 15 15:42:03 GMT 2023`
Record UNII	UHE02PT2JU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PARTRICIN A

Common Name

English

CANDICIDIN D, 40-DEMETHYL-3,7-DIDEOXO-3,7-DIHYDROXY-N47-METHYL-5-OXO-, CYCLIC 15,19-HEMIACETAL

Common Name

English

CANDICIDIN D, 40-DEMETHYL-3,7-DIDEOXO-3,7-DIHYDROXY-N47-METHYL-5-OXO-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID901318182