OntologieschebiclassesCHEBI:83959   
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hygrolidin
http://purl.obolibrary.org/obo/CHEBI_83959

A macrolide consisting resulting from the formal lactonisation of the carboxy group of (2E,4E,6R,7S,8S,10E,12E,14S,15R,16S,17R,18S)-18-[(2R,4R,5S,6R)-4-{[(2E)-3-carboxyprop-2-enoyl]oxy}-2-hydroxy-5,6-dimethyltetrahydro-2H-pyran-2-yl]-7,15,17-trihydroxy-14-methoxy-2,4,6,8,10,16-hexamethylnonadeca-2,4,10,12-tetraenoic acid with the hydroxy group at position 15. It is active against SV40 tumour cells, and inhibits the growth of solid tumour-derived cell lines such as DLD-1 human colon cancer cells with increased cells in G1 and S phases.

Also appears inslm
Exact Synonyms
(5R)-3-O-[(2E)-3-carboxyprop-2-enoyl]-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4R,6R,9S,10S,11R,12R,14R)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4,5-dimethyl-beta-L-erythro-pentopyranose
class Information
charge

0

formula

C37H56O11

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C37H56O11/c1-20-12-11-13-29(45-10)35(47-36(43)24(5)18-21(2)17-23(4)33(41)22(3)16-20)26(7)34(42)27(8)37(44)19-30(25(6)28(9)48-37)46-32(40)15-14-31(38)39/h11-15,17-18,22-23,25-30,33-35,41-42,44H,16,19H2,1-10H3,(H,38,39)/b13-11+,15-14+,20-12+,21-17+,24-18+/t22-,23+,25-,26-,27-,28+,29-,30+,33-,34+,35+,37+/m0/s1

inchikey

GEZBIZMDLMTFDB-KJKHOEIASA-N

in_subset

3_STAR

mass

676.83390

monoisotopicmass

676.38226

smiles

CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(C)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC(=O)\C=C\C(O)=O)[C@@H](C)[C@@H](C)O1

class Relations