(Q105240774)

English

Kanchanamycin C

group of stereoisomers with the chemical formula C₅₄H₉₁N₃O₁₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

1,053.634848452 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₄H₉₁N₃O₁₇

0 references

canonical SMILES

O=C(O)CC(=O)OC1CC(O)CC(O)CC(O)C(=CC=CC(C)C(OC(=O)C=CC=CC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)C2O)C1)C(C)CCCC=CCCCNC(=N)N)C

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isomeric SMILES

C/C1=C/C=C\C(C)C(C(C)CCC/C=C/CCCNC(=N)N)OC(=O)/C=C\C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)CC1O)CC(O)C2O

1 reference

based on heuristic

inferred from InChI

found in taxon

Streptomyces olivaceus

2 references

stated in

Kanchanamycins, new polyol macrolide antibiotics produced by Streptomyces olivaceus Tü 4018. I. Taxonomy, fermentation, isolation and biological activities.

stated in

Kanchanamycins, new polyol macrolide antibiotics produced by Streptomyces olivaceus Tü 4018. I. Taxonomy, fermentation, isolation and biological activities.

Identifiers

InChI

InChI=1S/C54H91N3O17/c1-32-16-12-13-20-49(68)73-51(35(4)17-11-9-7-8-10-14-23-57-53(55)56)36(5)19-15-18-33(2)43(61)26-39(59)24-38(58)25-40(72-50(69)30-48(66)67)27-41-28-46(64)52(70)54(71,74-41)31-47(65)34(3)21-22-42(60)37(6)45(63)29-44(32)62/h7-8,12-13,15-16,18-20,32,34-47,51-52,58-65,70-71H,9-11,14,17,21-31H2,1-6H3,(H,66,67)(H4,55,56,57)/b8-7+,16-12-,19-15-,20-13-,33-18-

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InChIKey

RMHABCFPUZPVNZ-LGMUKPSWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

RMHABCFPUZPVNZ-LGMUKPSWSA-N

ChEBI ID

201757

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C54H91N3O17/c1-32-16-12-13-20-49(68)73-51(35(4)17-11-9-7-8-10-14-23-57-53(55)56)36(5)19-15-18-33(2)43(61)26-39(59)24-38(58)25-40(72-50(69)30-48(66)67)27-41-28-46(64)52(70)54(71,74-41)31-47(65)34(3)21-22-42(60)37(6)45(63)29-44(32)62/h7-8,12-13,15-16,18-20,32,34-47,51-52,58-65,70-71H,9-11,14,17,21-31H2,1-6H3,(H,66,67)(H4,55,56,57)/b8-7+,16-12-,19-15-,20-13-,33-18-

(Q105240774)

Kanchanamycin C

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Identifiers

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