(Q105158047)

English

(E,3R)-N-[(2E)-2-[(7aR)-3-oxo-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene]acetyl]-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexadec-4-enamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

N-[2-(3-oxo-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene)acetyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexadec-4-enamide

1 reference

based on heuristic

inferred from SMILES

mass

580.335981116 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈N₂O₉

0 references

canonical SMILES

CCCCCCCCCCCC=CC(CC(=O)NC(=O)C=C1OC(=O)N2CCCC12)OC1OC(C)C(O)C(O)C1O

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isomeric SMILES

CCCCCCCCCCC/C=C/[C@@H](CC(=O)NC(=O)/C=C1/OC(=O)N2CCC[C@H]12)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

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found in taxon

Pseudomonas fluorescens

2 references

stated in

SB-253514 and analogues; novel inhibitors of lipoprotein-associated phospholipase A2 produced by Pseudomonas fluorescens DSM 11579. I. Fermentation of producing strain, isolation and biological activity

stated in

SB-253514 and analogues; novel inhibitors of lipoprotein associated phospholipase A2 produced by Pseudomonas fluorescens DSM 11579. III. Biotransformation using naringinase

Identifiers

InChI

InChI=1S/C30H48N2O9/c1-3-4-5-6-7-8-9-10-11-12-13-15-21(40-29-28(37)27(36)26(35)20(2)39-29)18-24(33)31-25(34)19-23-22-16-14-17-32(22)30(38)41-23/h13,15,19-22,26-29,35-37H,3-12,14,16-18H2,1-2H3,(H,31,33,34)/b15-13+,23-19+/t20-,21-,22+,26-,27+,28+,29-/m0/s1

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InChIKey

LVTDKRIMXLJUAE-JTQWKVPKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LVTDKRIMXLJUAE-JTQWKVPKSA-N

ChEBI ID

214919

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H48N2O9/c1-3-4-5-6-7-8-9-10-11-12-13-15-21(40-29-28(37)27(36)26(35)20(2)39-29)18-24(33)31-25(34)19-23-22-16-14-17-32(22)30(38)41-23/h13,15,19-22,26-29,35-37H,3-12,14,16-18H2,1-2H3,(H,31,33,34)/b15-13+,23-19+/t20-,21-,22+,26-,27+,28+,29-/m0/s1

1 reference

Natural Product Atlas ID

NPA019403

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LVTDKRIMXLJUAE-JTQWKVPKSA-N

(Q105158047)

(E,3R)-N-[(2E)-2-[(7aR)-3-oxo-5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene]acetyl]-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexadec-4-enamide

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Identifiers

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