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(Q77511976)
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English
Atacamycin B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
22-But-1-enyl-14,15-dihydroxy-16-methoxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one
1 reference
based on heuristic
inferred from SMILES
mass
470.303224444
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₂O₅
0 references
canonical SMILES
O=C1OC(C=CCC)CC=CC=CC(OC)C(O)C(O)C(C=CCC(C=CC=C(C=C1)C)C)C
0 references
isomeric SMILES
CC/C=C/C1C/C=C/C=C\C(OC)C(O)C(O)C(C)/C=C/CC(C)/C=C/C=C(C)/C=C/C(=O)O1
1 reference
based on heuristic
inferred from InChI
found in taxon
Streptomyces
1 reference
stated in
Atacamycins A-C, 22-membered antitumor macrolactones produced by Streptomyces sp. C38.
Identifiers
InChI
InChI=1S/C29H42O5/c1-6-7-17-25-18-9-8-10-19-26(33-5)29(32)28(31)24(4)16-12-15-22(2)13-11-14-23(3)20-21-27(30)34-25/h7-14,16-17,19-22,24-26,28-29,31-32H,6,15,18H2,1-5H3/b9-8+,13-11+,16-12+,17-7+,19-10-,21-20+,23-14+
0 references
InChIKey
YHRYKMQBQALRPC-FGTAZQSTSA-N
2 references
stated in
PubChem
PubChem CID
56834470
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
56834470
language of work or name
English
PubChem CID
56834470
2 references
stated in
PubChem
PubChem CID
56834470
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YHRYKMQBQALRPC-FGTAZQSTSA-N
ChEBI ID
226452
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C29H42O5/c1-6-7-17-25-18-9-8-10-19-26(33-5)29(32)28(31)24(4)16-12-15-22(2)13-11-14-23(3)20-21-27(30)34-25/h7-14,16-17,19-22,24-26,28-29,31-32H,6,15,18H2,1-5H3/b9-8+,13-11+,16-12+,17-7+,19-10-,21-20+,23-14+
UniChem compound ID
33310071
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA012910
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHRYKMQBQALRPC-FGTAZQSTSA-N
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