MICROCYSTIN-LR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H74N10O12
Molecular Weight	995.1717
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H](CC1=CC=CC=C1)[C@@H](C)\C=C(C)\C=C\[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]2C)C(O)=O)C(O)=O

InChI

InChIKey=ZYZCGGRZINLQBL-GWRQVWKTSA-N

InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H74N10O12
Molecular Weight	995.1717
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:47:41 UTC 2023` Edited by `admin` on `Sat Dec 16 09:47:41 UTC 2023`
Record UNII	EQ8332842Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MICROCYSTIN-LR

Common Name

English

NSC-733608

Code

English

TOXIN I (MICROCYSTIS AERUGINOSA)

Common Name

English

MICROCYSTIN-LR [HSDB]

Common Name

English

TOXIN T-17 (MICROCYSTIS AERUGINOSA)

Common Name

English

CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-LEUCYL-(3S)-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-4,6-DECADIENOYL-D-.GAMMA.-GLUTAMYL)

Systematic Name

English

MICROCYSTIN-LR [IARC]

Common Name

English

CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-LEUCYL-ERYTHRO-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-4,5,6,7-TETRADEHYDRO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-3-AMINODECANOYL-D-.GAMMA.-GLUTAMYL)

Systematic Name

English

1,7-ANHYDRO(D-ALANYL-L-LEUCYL-(3S)-3-METHYL-D-.BETA.-ASPARTYL-L-ARGINYL-(2S,3S,4E,6E,8S,9S)-3-AMINO-4,5,6,7-TETRADEHYDRO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECANOYL-D-.GAMMA.-GLUTAMYL-2,3-DIDEHYDRO-N-METHYLALANINE)

Common Name

English

CYANOGINOSIN-LR

Common Name

English

CHEBI:6925

Code

English

MICROCYSTIN-LA, 5-L-ARGININE-

Systematic Name

English

C05371

Code

English

Code System Code Type Description

EPA CompTox

DTXSID3031654