PHALLOIDIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H48N8O11S
Molecular Weight	788.868
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(NC(=O)[C@H](C)NC(=O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@@H]2CC3=C(NC4=C3C=CC=C4)SC[C@H](NC1=O)C(=O)N5C[C@@H](O)C[C@H]5C(=O)N[C@@H](C)C(=O)N2)[C@H](C)O

InChI

InChIKey=KPKZJLCSROULON-QKGLWVMZSA-N

InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)/t15-,16-,17-,18-,22-,23-,24-,25-,26+,35+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H48N8O11S
Molecular Weight	788.868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:51:49 GMT 2023` Edited by `admin` on `Sat Dec 16 09:51:49 GMT 2023`
Record UNII	5A520O87TI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHALLOIDIN

Common Name

English

NSC-523214

Code

English

PHALLOIDINE [HSDB]

Common Name

English

CYCLO(L-ALANYL-D-THREONYL-L-CYSTEINYL-(4S)-4-HYDROXY-L-PROLYL-L-ALANYL-2-MERCAPTO-L-TRYPTOPHYL-(4R)-4,5-DIHYDROXY-L-LEUCYL), CYCLIC (3->6)-THIOETHER

Common Name

English

CYCLIC(L-ALANYL-D-THREONYL-L-CYSTEINYL-CIS-4-HYDROXY-L- PROLYL-L-ALANYL-2-MERCAPTO-L-TRYPTOPHYL-4,5-DIHYDROXY-L- LEUCYL), CYCLIC (3,6)-SULFIDE

Common Name

English

PHALLOIDIN [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m8581