(Q104394272)

English

Cerexin B

chemical compound

In more languages

Statements

type of chemical entity

0 references

myristoyl-DL-Asn-DL-Val-DL-Phe-DL-Asn-DL-Asn-DL-Lys(4-OH)-DL-xiThr-Gly-DL-Trp-DL-xiIle-OH

1 reference

based on heuristic

inferred from SMILES

1,417.796936964 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆₉H₁₀₇N₁₅O₁₇

0 references

canonical SMILES

CCCCCCCCCCCCCC(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CC(O)CCN)C(=O)NC(C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)O)C(C)CC)C(C)O)C(C)C

0 references

isomeric SMILES

CCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C[C@@H](O)CCN)C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C

0 references

Bacillus cereus

2 references

Production and isolation of cerexins C and D studies on antibiotics from the genus Bacillus. XVII

Isolation of two new related peptide antibiotics, cerexins A and B. (Studies on antibiotics from the genus Bacillus.

Identifiers

InChI=1S/C69H107N15O17/c1-7-9-10-11-12-13-14-15-16-17-21-28-56(90)76-50(34-53(71)87)66(97)82-58(39(3)4)68(99)81-47(31-42-24-19-18-20-25-42)61(92)79-52(36-55(73)89)63(94)80-51(35-54(72)88)62(93)78-49(33-44(86)29-30-70)65(96)84-60(41(6)85)67(98)75-38-57(91)77-48(64(95)83-59(69(100)101)40(5)8-2)32-43-37-74-46-27-23-22-26-45(43)46/h18-20,22-27,37,39-41,44,47-52,58-60,74,85-86H,7-17,21,28-36,38,70H2,1-6H3,(H2,71,87)(H2,72,88)(H2,73,89)(H,75,98)(H,76,90)(H,77,91)(H,78,93)(H,79,92)(H,80,94)(H,81,99)(H,82,97)(H,83,95)(H,84,96)(H,100,101)/t40-,41+,44-,47+,48+,49-,50+,51+,52-,58+,59+,60+/m0/s1

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ZDZVUYXFDHKIKT-BGTBYPPESA-N

0 references

2 references

15 September 2022

matched by identifier from

ZDZVUYXFDHKIKT-BGTBYPPESA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C69H107N15O17/c1-7-9-10-11-12-13-14-15-16-17-21-28-56(90)76-50(34-53(71)87)66(97)82-58(39(3)4)68(99)81-47(31-42-24-19-18-20-25-42)61(92)79-52(36-55(73)89)63(94)80-51(35-54(72)88)62(93)78-49(33-44(86)29-30-70)65(96)84-60(41(6)85)67(98)75-38-57(91)77-48(64(95)83-59(69(100)101)40(5)8-2)32-43-37-74-46-27-23-22-26-45(43)46/h18-20,22-27,37,39-41,44,47-52,58-60,74,85-86H,7-17,21,28-36,38,70H2,1-6H3,(H2,71,87)(H2,72,88)(H2,73,89)(H,75,98)(H,76,90)(H,77,91)(H,78,93)(H,79,92)(H,80,94)(H,81,99)(H,82,97)(H,83,95)(H,84,96)(H,100,101)/t40-,41+,44-,47+,48+,49-,50+,51+,52-,58+,59+,60+/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZDZVUYXFDHKIKT-BGTBYPPESA-N

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