(Q75062776)

English

Granadaene

bioactive natural product

In more languages

Statements

type of chemical entity

0 references

5-Amino-2-[27-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoctacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoylamino]pentanoic acid

1 reference

based on heuristic

inferred from SMILES

676.372366624 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₂N₂O₈

0 references

canonical SMILES

CC(CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC(=O)NC(CCCN)C(=O)O)OC1OC(C)C(O)C(O)C1O

0 references

isomeric SMILES

CC(C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)NC(CCCN)C(=O)O)OC1OC(C)C(O)C(O)C1O

1 reference

based on heuristic

inferred from InChI

Streptococcus agalactiae

1 reference

Granadaene: proposed structure of the group B Streptococcus polyenic pigment

Identifiers

InChI=1S/C39H52N2O8/c1-31(48-39-37(45)36(44)35(43)32(2)49-39)27-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-29-34(42)41-33(38(46)47)28-26-30-40/h3-25,29,31-33,35-37,39,43-45H,26-28,30,40H2,1-2H3,(H,41,42)(H,46,47)/b4-3+,7-5+,8-6+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+,23-21+,24-22+,29-25+

0 references

PPFISAQUKQQDHW-TYXFIOLASA-N

2 references

language of work or name

Natural Product Atlas

language of work or name

2 references

language of work or name

matched by identifier from

PPFISAQUKQQDHW-TYXFIOLASA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C39H52N2O8/c1-31(48-39-37(45)36(44)35(43)32(2)49-39)27-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-29-34(42)41-33(38(46)47)28-26-30-40/h3-25,29,31-33,35-37,39,43-45H,26-28,30,40H2,1-2H3,(H,41,42)(H,46,47)/b4-3+,7-5+,8-6+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+,23-21+,24-22+,29-25+

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PPFISAQUKQQDHW-TYXFIOLASA-N

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