(Q105022873)

English

3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid

group of stereoisomers with the chemical formula C₂₈H₅₀O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

530.34548318 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₅₀O₉

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canonical SMILES

O=C(O)CC(OC(=O)CC(OC1OC(C)C(O)C(O)C1O)CC=CCCCC)CCCCCCCCC

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isomeric SMILES

CCCC/C=C/CC(CC(=O)OC(CCCCCCCCC)CC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

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found in taxon

Pseudomonas

1 reference

stated in

Antimicrobial Activity of Monoramnholipids Produced by Bacterial Strains Isolated from the Ross Sea (Antarctica)

Identifiers

InChI

InChI=1S/C28H50O9/c1-4-6-8-10-11-13-15-16-21(18-23(29)30)36-24(31)19-22(17-14-12-9-7-5-2)37-28-27(34)26(33)25(32)20(3)35-28/h12,14,20-22,25-28,32-34H,4-11,13,15-19H2,1-3H3,(H,29,30)/b14-12+/t20-,21?,22?,25-,26+,27+,28-/m0/s1

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InChIKey

GWXLTEUAMDVFFH-SBYIBVSJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GWXLTEUAMDVFFH-SBYIBVSJSA-N

ChEBI ID

212016

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H50O9/c1-4-6-8-10-11-13-15-16-21(18-23(29)30)36-24(31)19-22(17-14-12-9-7-5-2)37-28-27(34)26(33)25(32)20(3)35-28/h12,14,20-22,25-28,32-34H,4-11,13,15-19H2,1-3H3,(H,29,30)/b14-12+/t20-,21?,22?,25-,26+,27+,28-/m0/s1

1 reference

Natural Product Atlas ID

NPA023082

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GWXLTEUAMDVFFH-SBYIBVSJSA-N

(Q105022873)

3-[(E)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydec-5-enoyl]oxydodecanoic acid

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Identifiers

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