PARTRICIN B

Details

Stereochemistry	UNKNOWN
Molecular Formula	C58H84N2O19
Molecular Weight	1113.2896
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(CCC(O)CC(=O)C1=CC=C(N)C=C1)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=NVJUPMZQNWDHTL-MJODAWFJSA-N

InChI=1S/C58H84N2O19/c1-34-16-14-12-10-8-6-4-5-7-9-11-13-15-17-46(77-57-54(72)52(60)53(71)36(3)76-57)31-49-51(56(73)74)48(69)33-58(75,79-49)32-45(67)28-43(65)26-41(63)24-40(62)25-42(64)27-44(66)30-50(70)78-55(34)35(2)18-23-39(61)29-47(68)37-19-21-38(59)22-20-37/h4-17,19-22,34-36,39-41,43-46,48-49,51-55,57,61-63,65-67,69,71-72,75H,18,23-33,59-60H2,1-3H3,(H,73,74)/b5-4+,8-6+,9-7+,12-10+,13-11+,16-14+,17-15+/t34?,35?,36-,39?,40?,41?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C58H84N2O19
Molecular Weight	1113.2896
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 `Sat Dec 16 01:15:09 GMT 2023` Edited by `admin` on `Sat Dec 16 01:15:09 GMT 2023`
Record UNII	91OJ18975B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PARTRICIN B

Common Name

English

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

Common Name

English

Code System Code Type Description

FDA UNII

91OJ18975B