(Q110168731)

English

(5S,6E)-3-[(E)-2-acetamidoethenyl]sulfanyl-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

324.077992612 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₁₆N₂O₅S

0 references

canonical SMILES

O=C(O)C1=C(SC=CNC(=O)C)CC2C(C(=O)N12)=C(C)CO

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isomeric SMILES

CC(=O)N/C=C/SC1=C(C(=O)O)N2C(=O)/C(=C(\C)CO)[C@@H]2C1

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found in taxon

Streptomyces

1 reference

stated in

Asparenomycins A, B and C, new carbapenem antibiotics. III. Structures

Identifiers

InChI

InChI=1S/C14H16N2O5S/c1-7(6-17)11-9-5-10(22-4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h3-4,9,17H,5-6H2,1-2H3,(H,15,18)(H,20,21)/b4-3+,11-7+/t9-/m0/s1

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InChIKey

OXRGPSLVPTUXTM-KHEUGVFDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OXRGPSLVPTUXTM-KHEUGVFDSA-N

ChEBI ID

223359

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C14H16N2O5S/c1-7(6-17)11-9-5-10(22-4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h3-4,9,17H,5-6H2,1-2H3,(H,15,18)(H,20,21)/b4-3+,11-7+/t9-/m0/s1

1 reference

Natural Product Atlas ID

NPA021009

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OXRGPSLVPTUXTM-KHEUGVFDSA-N

(Q110168731)

(5S,6E)-3-[(E)-2-acetamidoethenyl]sulfanyl-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Statements

Identifiers

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