Concept information
...
organic cyclic compound
organic heterocyclic compound
organic heteropolycyclic compound
organic heterotetracyclic compound
...
organic cyclic compound
organic heterocyclic compound
organic heteropolycyclic compound
organic heterotetracyclic compound
Preferred term
bryostatin 1
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C47H68O17
has_role
- antineoplastic agent
- CHEBI:64018
- CHEBI:64947
- CHEBI:88355
- marine metabolite
inchi
- InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
inchikey
- MJQUEDHRCUIRLF-TVIXENOKSA-N
mass
- 905.034
monoisotopicmass
- 904.44565
smiles
- C/1(/C[C@H]2O[C@@H](C1)C[C@]3(C([C@H](C[C@@H](C[C@H](CC(O[C@@H]([C@@H](C)O)C[C@@]4(C/C(/[C@@H]([C@](C(C=C2)(C)C)(O4)O)OC(/C=C/C=C/CCC)=O)=C/C(OC)=O)[H])=O)O)O3)OC(C)=O)(C)C)O)=C/C(OC)=O
subset
- 3_STAR
synonym EXACT
- (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1(3,7).1(11,15)]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate
synonym RELATED
- bryostatin-1
In other languages
-
Persian
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:88353
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