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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > colibactin
organooxygen compound > carboxamide > secondary carboxamide > colibactin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > colibactin
organooxygen compound > polyketide > colibactin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > thiazoles > 1,3-thiazoles > colibactin
organic heterocyclic compound > organosulfur heterocyclic compound > thiazoles > 1,3-thiazoles > colibactin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azole > thiazoles > 1,3-thiazoles > colibactin
... > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > thiazoles > 1,3-thiazoles > colibactin
... > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > thiazoles > 1,3-thiazoles > colibactin
... > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > thiazoles > 1,3-thiazoles > colibactin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyrroline > colibactin
organic heterocyclic compound > organonitrogen heterocyclic compound > pyrroline > colibactin
organic heterocyclic compound > organic heteromonocyclic compound > pyrroline > colibactin

Preferred term

colibactin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C37H38N8O7S2

has_role

inchi

  • InChI=1S/C37H38N8O7S2/c1-17-3-5-21(40-17)29-19(36(7-8-36)44-33(29)51)11-26(47)38-13-25(46)23-15-54-35(43-23)32(50)31(49)24-16-53-28(42-24)14-39-27(48)12-20-30(22-6-4-18(2)41-22)34(52)45-37(20)9-10-37/h15-18H,3-14H2,1-2H3,(H,38,47)(H,39,48)(H,44,51)(H,45,52)/t17-,18-/m0/s1

inchikey

  • ZWKHDAZPVITMAI-ROUUACIJSA-N

mass

  • 770.880

monoisotopicmass

  • 770.23049

smiles

  • C[C@H]1CCC(=N1)C1=C(CC(=O)NCC(=O)C2=CSC(=N2)C(=O)C(=O)C2=CSC(CNC(=O)CC3=C(C(=O)NC33CC3)C3=N[C@@H](C)CC3)=N2)C2(CC2)NC1=O

subset

  • 3_STAR

synonym EXACT

  • 2-{6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl}-N-({4-[{4-[(2-{6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl}acetamido)acetyl]-1,3-thiazol-2-yl}(oxo)acetyl]-1,3-thiazol-2-yl}methyl)acetamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156303

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