(Q105124941)

English

Fuscachelin A

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

JCLPEMGCTLBLJE-UHFFFAOYSA-N

1 reference

based on heuristic

inferred from SMILES

mass

1,029.426420808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₉N₁₅O₁₆

0 references

canonical SMILES

N=C(N)NCCCC(NC(=O)c1cccc(O)c1O)C(=O)NCC(=O)NCC(=O)NC1CCCN(O)C(=O)C(NC(=O)CNC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)c2cccc(O)c2O)COC1=O

0 references

isomeric SMILES

N=C(N)NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)NCC(=O)NCC(=O)N[C@H]1CCCN(O)C(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2cccc(O)c2O)COC1=O

0 references

found in taxon

Thermobifida fusca

2 references

stated in

Structure elucidation and biosynthesis of fuscachelins, peptide siderophores from the moderate thermophile Thermobifida fusca

stated in

Structure elucidation and biosynthesis of fuscachelins, peptide siderophores from the moderate thermophile Thermobifida fusca

Identifiers

InChI

InChI=1S/C42H59N15O16/c43-41(44)47-13-3-8-23(55-35(66)21-6-1-11-27(58)33(21)64)37(68)51-16-29(60)49-18-31(62)53-25-10-5-15-57(72)39(70)26(20-73-40(25)71)54-32(63)19-50-30(61)17-52-38(69)24(9-4-14-48-42(45)46)56-36(67)22-7-2-12-28(59)34(22)65/h1-2,6-7,11-12,23-26,58-59,64-65,72H,3-5,8-10,13-20H2,(H,49,60)(H,50,61)(H,51,68)(H,52,69)(H,53,62)(H,54,63)(H,55,66)(H,56,67)(H4,43,44,47)(H4,45,46,48)/t23-,24-,25+,26+/m1/s1

0 references

InChIKey

JCLPEMGCTLBLJE-XPGKHFPBSA-N

0 references

2 references

15 September 2022

matched by identifier from

InChIKey

JCLPEMGCTLBLJE-XPGKHFPBSA-N

ChEBI ID

219804

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C42H59N15O16/c43-41(44)47-13-3-8-23(55-35(66)21-6-1-11-27(58)33(21)64)37(68)51-16-29(60)49-18-31(62)53-25-10-5-15-57(72)39(70)26(20-73-40(25)71)54-32(63)19-50-30(61)17-52-38(69)24(9-4-14-48-42(45)46)56-36(67)22-7-2-12-28(59)34(22)65/h1-2,6-7,11-12,23-26,58-59,64-65,72H,3-5,8-10,13-20H2,(H,49,60)(H,50,61)(H,51,68)(H,52,69)(H,53,62)(H,54,63)(H,55,66)(H,56,67)(H4,43,44,47)(H4,45,46,48)/t23-,24-,25+,26+/m1/s1

1 reference

Natural Product Atlas ID

NPA020353

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JCLPEMGCTLBLJE-XPGKHFPBSA-N

(Q105124941)

Fuscachelin A

Statements

Identifiers

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