(Q105303221)

English

(1R,13R,15E,17E,19E,21E,23R,25S,26R,27S)-23-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-10-ethyl-1,3,9,27-tetrahydroxy-13-methyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid

group of stereoisomers with the chemical formula C₃₇H₅₇NO₁₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

739.377905504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₇NO₁₄

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canonical SMILES

O=C(O)C1C(O)CC2(O)OC1CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CCC(OC(=O)C(CC)C(O)CC(=O)CCCC(O)C2)C

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isomeric SMILES

CCC1C(=O)O[C@H](C)C/C=C/C=C/C=C/C=C/[C@H](OC2OC(C)C(O)C(N)C2O)C[C@@H]2O[C@](O)(CC(O)CCCC(=O)CC1O)C[C@H](O)[C@H]2C(=O)O

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found in taxon

Streptomyces diastaticus

1 reference

stated in

CE-108, a New Macrolide Tetraene Antibiotic

Identifiers

InChI

InChI=1S/C37H57NO14/c1-4-26-27(41)17-23(39)14-12-15-24(40)19-37(48)20-28(42)30(34(45)46)29(52-37)18-25(51-36-33(44)31(38)32(43)22(3)50-36)16-11-9-7-5-6-8-10-13-21(2)49-35(26)47/h5-11,16,21-22,24-33,36,40-44,48H,4,12-15,17-20,38H2,1-3H3,(H,45,46)/b6-5+,9-7+,10-8+,16-11+/t21-,22?,24?,25+,26?,27?,28+,29+,30-,31?,32?,33?,36?,37-/m1/s1

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InChIKey

WENZSKRHIWIHNO-MZMFGJKYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WENZSKRHIWIHNO-MZMFGJKYSA-N

1 reference

Natural Product Atlas ID

NPA009659

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WENZSKRHIWIHNO-MZMFGJKYSA-N

(Q105303221)

(1R,13R,15E,17E,19E,21E,23R,25S,26R,27S)-23-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-10-ethyl-1,3,9,27-tetrahydroxy-13-methyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid

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Identifiers

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