(Q104911898)

English

(6R,7S)-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-3-[[(Z)-2-methoxy-3-(4-sulfooxyphenyl)prop-2-enoyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

group of stereoisomers with the chemical formula C₂₅H₂₉N₃O₁₄S₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

659.109094608 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₉N₃O₁₄S₂

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canonical SMILES

COC(=Cc1ccc(OS(=O)(=O)O)cc1)C(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O)O)(OC)C2SC1

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isomeric SMILES

CO/C(=C\c1ccc(OS(=O)(=O)O)cc1)C(=O)OCC1=C(C(=O)O)N2C(=O)[C@](NC(=O)CCCC(N)C(=O)O)(OC)[C@H]2SC1

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found in taxon

Streptomyces griseus

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stated in

Characterization of the cmcH genes of Nocardia lactamdurans and Streptomyces clavuligerus encoding a functional 3'-hydroxymethylcephem O-carbamoyltransferase for cephamycin biosynthesis

Identifiers

InChI

InChI=1S/C25H29N3O14S2/c1-39-17(10-13-6-8-15(9-7-13)42-44(36,37)38)22(34)41-11-14-12-43-24-25(40-2,23(35)28(24)19(14)21(32)33)27-18(29)5-3-4-16(26)20(30)31/h6-10,16,24H,3-5,11-12,26H2,1-2H3,(H,27,29)(H,30,31)(H,32,33)(H,36,37,38)/b17-10-/t16?,24-,25+/m1/s1

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InChIKey

AGMXVTRKEHGDRH-ONXOMGLWSA-N

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1 reference

26 December 2021

1 reference

(Q104911898)

(6R,7S)-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-3-[[(Z)-2-methoxy-3-(4-sulfooxyphenyl)prop-2-enoyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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Identifiers

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