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(Q77500566)
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English
Atacamycin C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
22-But-1-enyl-14-hydroxy-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
454.308309824
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₂O₄
0 references
canonical SMILES
O=C1OC(C=CCC)CC=CC=CC(OC)CC(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)CC(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/C29H42O4/c1-6-7-17-26-18-9-8-10-19-27(32-5)22-28(30)25(4)16-12-15-23(2)13-11-14-24(3)20-21-29(31)33-26/h7-14,16-17,19-21,23,25-28,30H,6,15,18,22H2,1-5H3/b9-8+,13-11+,16-12+,17-7+,19-10-,21-20+,24-14+
0 references
InChIKey
CKCNVLQCNLEZSB-VJKIWBRUSA-N
2 references
stated in
PubChem
PubChem CID
56834471
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
56834471
language of work or name
English
PubChem CID
56834471
2 references
stated in
PubChem
PubChem CID
56834471
language of work or name
English
matched by identifier from
InChIKey
InChIKey
CKCNVLQCNLEZSB-VJKIWBRUSA-N
ChEBI ID
217410
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C29H42O4/c1-6-7-17-26-18-9-8-10-19-27(32-5)22-28(30)25(4)16-12-15-23(2)13-11-14-24(3)20-21-29(31)33-26/h7-14,16-17,19-21,23,25-28,30H,6,15,18,22H2,1-5H3/b9-8+,13-11+,16-12+,17-7+,19-10-,21-20+,24-14+
UniChem compound ID
32540833
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011086
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CKCNVLQCNLEZSB-VJKIWBRUSA-N
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