CYANOGINOSIN LA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H67N7O12
Molecular Weight	910.0639
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](C)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=DIAQQISRBBDJIM-DRSCAGMXSA-N

InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C46H67N7O12
Molecular Weight	910.0639
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 `Fri Dec 15 18:31:53 GMT 2023` Edited by `admin` on `Fri Dec 15 18:31:53 GMT 2023`
Record UNII	3E7C54U3SY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYANOGINOSIN LA

Common Name

English

TOXIN BE 4 (MICROCYSTIS AERUGINOSA)

Common Name

English

MICROCYSTIN-LEUCINE-ALANINE

Common Name

English

MICROCYSTIN LA

Common Name

English

CYCLO(2,3-DIDEHYDRO-N-METHYLALANYL-D-ALANYL-L-LEUCYL-(3S)-3-METHYL-D-.BETA.-ASPARTYL-L-ALANYL-(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

Code System Code Type Description

CAS

96180-79-9

Created by admin on Fri Dec 15 18:31:53 GMT 2023 , Edited by admin on Fri Dec 15 18:31:53 GMT 2023

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EPA CompTox

DTXSID3031656

Created by admin on Fri Dec 15 18:31:53 GMT 2023 , Edited by admin on Fri Dec 15 18:31:53 GMT 2023

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FDA UNII

3E7C54U3SY

Created by admin on Fri Dec 15 18:31:53 GMT 2023 , Edited by admin on Fri Dec 15 18:31:53 GMT 2023

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PUBCHEM

6437382

Created by admin on Fri Dec 15 18:31:53 GMT 2023 , Edited by admin on Fri Dec 15 18:31:53 GMT 2023

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