(Q75062576)

English

(2R)-2-acetamido-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexyl)oxyoxan-3-yl]-3-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]propanamide

chemical compound

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

676.22617296 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₀N₄O₁₄S

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canonical SMILES

CC(=O)NC(CSCc1c(C)c(=O)n2c(=O)c(C)c(C)n12)C(=O)NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O

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isomeric SMILES

CC(=O)N[C@@H](CSCc1c(C)c(=O)n2c(=O)c(C)c(C)n12)C(=O)NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O

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found in taxon

Mycobacterium bovis

1 reference

stated in

Thiols of intracellular pathogens. Identification of ovothiol A in Leishmania donovani and structural analysis of a novel thiol from Mycobacterium bovis

Identifiers

InChI

InChI=1S/C27H40N4O14S/c1-8-10(3)30-13(9(2)26(43)31(30)25(8)42)7-46-6-12(28-11(4)33)24(41)29-15-17(35)16(34)14(5-32)44-27(15)45-23-21(39)19(37)18(36)20(38)22(23)40/h12,14-23,27,32,34-40H,5-7H2,1-4H3,(H,28,33)(H,29,41)/t12-,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,27?/m0/s1

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InChIKey

DUKFQTJTBSIGQL-ZFHOMJCASA-N

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language of work or name

English

stated in

Natural Product Atlas

PubChem CID

139583440

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

DUKFQTJTBSIGQL-ZFHOMJCASA-N

1 reference

Natural Product Atlas ID

NPA001269

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DUKFQTJTBSIGQL-ZFHOMJCASA-N

(Q75062576)

(2R)-2-acetamido-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexyl)oxyoxan-3-yl]-3-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]propanamide

Statements

Identifiers

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