(Q77373638)

English

Dihydroniphimycin

bioactive natural product

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instance of

type of chemical entity

0 references

subclass of

3-oxo-3-[[5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

1,143.73931352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₉H₁₀₅N₃O₁₈

0 references

canonical SMILES

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

0 references

isomeric SMILES

CNC(=N)NCCC/C=C/CCCC(C)CC(C)C1C/C=C\C=C/C(O)C(C)C(O)CC(O)CC(OC(=O)CC(=O)O)CC2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)C(C)C(O)C(C)C(O)C(C)CCC(O)C(C)C(=O)O1)O2

1 reference

based on heuristic

inferred from InChI

found in taxon

Streptomyces hygroscopicus

1 reference

stated in

Dihydroniphimycin: new polyol macrolide antibiotic produced by Streptomyces hygroscopicus 15 isolation and structure elucidation

Identifiers

InChI

InChI=1S/C59H105N3O18/c1-34(19-15-12-10-11-13-18-26-62-58(60)61-9)27-37(4)51-21-17-14-16-20-45(64)38(5)48(67)29-42(63)28-43(78-53(72)32-52(70)71)30-44-31-49(68)56(75)59(77,80-44)33-50(69)35(2)22-24-46(65)39(6)55(74)41(8)54(73)36(3)23-25-47(66)40(7)57(76)79-51/h10-11,14,16-17,20,34-51,54-56,63-69,73-75,77H,12-13,15,18-19,21-33H2,1-9H3,(H,70,71)(H3,60,61,62)/b11-10+,17-14-,20-16-

0 references

InChIKey

QJBZWXDRESIVAD-XTHAQYFTSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

139584668

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

QJBZWXDRESIVAD-XTHAQYFTSA-N

ChEBI ID

202804

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C59H105N3O18/c1-34(19-15-12-10-11-13-18-26-62-58(60)61-9)27-37(4)51-21-17-14-16-20-45(64)38(5)48(67)29-42(63)28-43(78-53(72)32-52(70)71)30-44-31-49(68)56(75)59(77,80-44)33-50(69)35(2)22-24-46(65)39(6)55(74)41(8)54(73)36(3)23-25-47(66)40(7)57(76)79-51/h10-11,14,16-17,20,34-51,54-56,63-69,73-75,77H,12-13,15,18-19,21-33H2,1-9H3,(H,70,71)(H3,60,61,62)/b11-10+,17-14-,20-16-

1 reference

Natural Product Atlas ID

NPA005651

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QJBZWXDRESIVAD-XTHAQYFTSA-N

(Q77373638)

Dihydroniphimycin

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